 Entering Gaussian System, Link 0=g16
 Input=05_alphapinene_STD_B3LYPDBJ-def2TZVPDr.in
 Output=05_alphapinene_STD_B3LYPDBJ-def2TZVPDr.log
 AtFile(1): /user/pierpa/basis_sets/def2TZVPD.gbs
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            ****
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               5253.2344745              0.95310527769D-02
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            S    8   1.00
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               5885.6618668              0.93943844255D-02
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                194.57803492             0.29004470954
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                 58.840299883           -0.11547027448
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            S    1   1.00
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                197.93040142             0.20076506686D-01
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            D    1   1.00
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            -Sc     0
            S    8   1.00
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              28723.8503630              0.17890329946D-02
               6537.0116490              0.92990401140D-02
               1850.3097171              0.37739438011D-01
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                216.17324766             0.28814821470
                 83.712517880            0.40517543099
                 32.908707189            0.20566019623
            S    4   1.00
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                 65.128920139           -0.11570158142
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                224.09699732             0.19742967060D-01
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            -Ti     0
            S    8   1.00
             211575.6902500              0.23318151011D-03
              31714.9450580              0.18079690851D-02
               7217.5476543              0.93984311352D-02
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            S    4   1.00
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            -V     0
            S    8   1.00
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              34828.8411700              0.17888178962D-02
               7926.5448691              0.92992490131D-02
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                262.32219631             0.28963508811
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                 40.064784617            0.21113610858
            S    4   1.00
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                280.23075192             0.19643454466D-01
                 89.643627137            0.90796949190D-01
                 33.242411253            0.25650768222
                 13.144514452            0.40815393750
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              38131.7970540              0.18142601800D-02
               8675.2930607              0.94363925721D-02
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                286.90021489             0.29489696029
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                309.25311441             0.19544041017D-01
                 98.996273963            0.90651794553D-01
                 36.756916451            0.25699279154
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            -Mn     0
            S    8   1.00
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              41550.7698900              0.17707650375D-02
               9455.9700152              0.92077209994D-02
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                312.98306420             0.28824392499
                121.44454051             0.41041600847
                 47.922598829            0.21372375145
            S    4   1.00
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                342.06551197             0.19369286864D-01
                109.58400891             0.90236108988D-01
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              10262.5163170              0.91927083490D-02
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                339.87832894             0.28818881468
                131.94425588             0.41126612677
                 52.111494077            0.21518583573
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                101.92332739            -0.11683089050
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                  6.8840675801           0.53601640182
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                375.38006499             0.19253154755D-01
                120.31816501             0.90021836536D-01
                 44.788749031            0.25798172356
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            S    8   1.00
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              48839.6364530              0.17499397533D-02
              11114.9373070              0.91003134097D-02
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                368.02508816             0.28598731649
                142.91229205             0.40908312004
                 56.482649209            0.21500145739
            S    4   1.00
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                409.91750438             0.19382999967D-01
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            ****
            -Ni     0
            S    8   1.00
             351535.7293500              0.22529386884D-03
              52695.8092830              0.17468616223D-02
              11992.4682930              0.90849992136D-02
               3394.5776689              0.36940748447D-01
               1105.3594585              0.12032819950
                397.14677769             0.28596715057
                154.27542974             0.40983020196
                 61.018723780            0.21620642851
            S    4   1.00
                384.45559739            -0.24651279268D-01
                119.04879199            -0.11658505277
                 19.137012223            0.54864126676
                  8.1526718562           0.52640051122
            S    2   1.00
                 12.579408642           -0.22797884293
                  2.0870866081           0.70703738215
            S    1   1.00
                  0.86432568555          1.0000000
            S    1   1.00
                  0.13283169217          1.0000000
            S    1   1.00
                  0.46845327726D-01      1.0000000
            P    6   1.00
               1883.0907486              0.23748258443D-02
                445.95155320             0.19289457172D-01
                143.08430815             0.90718211507D-01
                 53.372920722            0.26181414117
                 21.321919357            0.42309149832
                  8.6643561994           0.24641686015
            P    3   1.00
                 34.144255211           -0.29677129163D-01
                  4.7122455921           0.55616824096
                  1.8709231845           0.96357766460
            P    1   1.00
                  0.70370016267          1.0000000
            P    1   1.00
                  0.1465880              1.0000000
            P    1   1.00
                  0.36887339850D-01      1.0000000
            D    4   1.00
                 74.591603465            0.12077454672D-01
                 21.590632752            0.74637262154D-01
                  7.6246142580           0.23236775502
                  2.8632206762           0.39042651680
            D    1   1.00
                  1.0311063388            .39509498921
            D    1   1.00
                  0.33060760691           .21138769167
            D    1   1.00
                  0.1060000              1.0000000
            F    1   1.00
                  2.1740000              1.0000000
            ****
            -Cu     0
            S    8   1.00
             377518.7992300              0.22811766128D-03
              56589.9843110              0.17688035931D-02
              12878.7117060              0.91993460227D-02
               3645.3752143              0.37411016434D-01
               1187.0072945              0.12189873737
                426.46421902             0.28983900714
                165.70660164             0.41531872174
                 65.598942707            0.21905799287
            S    4   1.00
                414.41265811            -0.24682525053D-01
                128.32056039            -0.11716827406
                 20.622089750            0.55301315941
                  8.7821226045           0.52242718609
            S    2   1.00
                 13.741372006           -0.22736061821
                  2.2431246833           0.71761210873
            S    1   1.00
                  0.89370549079          1.0000000
            S    1   1.00
                  0.10836699534          1.0000000
            S    1   1.00
                  0.38806178058D-01      1.0000000
            P    6   1.00
               2034.7596692              0.23524822298D-02
                481.90468106             0.19134070751D-01
                154.67482963             0.90171105278D-01
                 57.740576969            0.26063284735
                 23.099052811            0.42093485770
                  9.3882478591           0.24344615121
            P    3   1.00
                 37.596171210           -0.28991094530D-01
                  5.1240690810           0.54919083831
                  2.0119996085           0.93793330488
            P    1   1.00
                  0.73860686002          1.0000000
            P    1   1.00
                  0.1550650              1.0000000
            P    1   1.00
                  0.34015997020D-01      1.0000000
            D    4   1.00
                 74.129460637            0.14363216676D-01
                 21.359842587            0.86628177096D-01
                  7.4995240537           0.25631430541
                  2.7601394169           0.40374062368
            D    1   1.00
                  0.95362061236           .39427042447
            D    1   1.00
                  0.28420862520           .23091146816
            D    1   1.00
                  0.0850000              1.0000000
            F    1   1.00
                  2.2330000              1.0000000
            ****
            -Zn     0
            S    8   1.00
             405924.3102800              0.22442017483D-03
              60846.9557350              0.17402086626D-02
              13847.3430920              0.90513339565D-02
               3919.6158551              0.36817341445D-01
               1276.3594167              0.12004850256
                458.67254435             0.28576057621
                178.28725246             0.41087462062
                 70.612192837            0.21816962456
            S    4   1.00
                443.88077950            -0.24934274984D-01
                137.55875267            -0.11817955766
                 22.268083479            0.55367318468
                  9.5217310606           0.52628934936
            S    2   1.00
                 14.874114065           -0.22929955254
                  2.4647517612           0.71135484742
            S    1   1.00
                  1.0113272238           1.0000000
            S    1   1.00
                  0.14919852089          1.0000000
            S    1   1.00
                  0.51441872981D-01      1.0000000
            P    6   1.00
               2205.3508534              0.23356240448D-02
                522.35300699             0.19031022634D-01
                167.73055542             0.89955758675D-01
                 62.670045373            0.26113248631
                 25.109749456            0.42348448173
                 10.225142681            0.24618926885
            P    3   1.00
                 40.713442521           -0.30029667592D-01
                  5.6247090696           0.55575254864
                  2.2279949116           0.95581013442
            P    1   1.00
                  0.83354741691          1.0000000
            P    1   1.00
                  0.1624550              1.0000000
            P    1   1.00
                  0.0477690              1.0000000
            P    1   1.00
                  0.21234841485D-01      1.0000000
            D    4   1.00
                 88.554315311            0.12728170015D-01
                 25.721525557            0.79394499843D-01
                  9.1278367624           0.24491506805
                  3.4312364064           0.40390526479
            D    1   1.00
                  1.2308920645            .40158491145
            D    1   1.00
                  0.39031845112           .21579805034
            D    1   1.00
                  0.1240000              1.0000000
            F    1   1.00
                  2.6140000              1.0000000
            ****
            -Ga     0
            S    8   1.00
             435548.6625400              0.23646329650D-03
              65289.5890310              0.18335271776D-02
              14858.7842560              0.95371863081D-02
               4205.9734729              0.38803412468D-01
               1369.6416431              0.12661604848
                492.30348905             0.30175310292
                191.41923233             0.43543934218
                 75.840558665            0.23282363780
            S    4   1.00
                474.30810613            -0.26743707958D-01
                147.10297560            -0.12654657542
                 23.982599435            0.58840346839
                 10.298230094            0.56324271589
            S    2   1.00
                 16.050381430           -0.24516439508
                  2.6988468784           0.74578049593
            S    1   1.00
                  1.1428588736           1.0000000
            S    1   1.00
                  0.20217652251          1.0000000
            S    1   1.00
                  0.71980152032D-01      1.0000000
            S    1   1.00
                  0.30102057284D-01      1.0000000
            P    6   1.00
               2432.0171070              0.22434065928D-02
                576.12049582             0.18342265336D-01
                185.11584354             0.87279697167D-01
                 69.246572556            0.25684868351
                 27.818107777            0.42398378107
                 11.420229938            0.25701340043
            P    3   1.00
                 42.819661530           -0.19326519119D-01
                  6.3885901000           0.31571386917
                  2.6698993326           0.57617792822
            P    1   1.00
                  1.0781783834           1.0000000
            P    1   1.00
                  0.22796559371          1.0000000
            P    1   1.00
                  0.62836234833D-01      1.0000000
            D    5   1.00
                103.92331829             0.11464613652D-01
                 30.371094389            0.73625747383D-01
                 10.872078097            0.23505107382
                  4.1549137954           0.40318563513
                  1.5345659145           0.40824748152
            D    1   1.00
                  0.51114263830           .20502439263
            D    1   1.00
                  0.30622000             1.0000000
            D    1   1.00
                  0.11391309             1.0000000
            D    1   1.00
                  0.42871691594D-01      1.0000000
            F    1   1.00
                  0.30996095             1.0000000
            ****
            -Ge     0
            S    8   1.00
             466115.0059200              0.22487264660D-03
              69875.4207620              0.17435426729D-02
              15903.2767160              0.90691482206D-02
               4501.8233453              0.36906174685D-01
               1466.0570924              0.12050167907
                527.07841728             0.28748641703
                205.00395074             0.41622321885
                 81.251596065            0.22397845695
            S    4   1.00
                505.74661282            -0.25184609291D-01
                156.96593744            -0.11898929721
                 25.761448176            0.54930135870
                 11.106654687            0.52939309129
            S    2   1.00
                 17.272059104           -0.22854595728
                  2.9438289048           0.68377930317
            S    1   1.00
                  1.2839164916           1.0000000
            S    1   1.00
                  0.25873337445          1.0000000
            S    1   1.00
                  0.93524913177D-01      1.0000000
            S    1   1.00
                  0.41984351140D-01      1.0000000
            P    6   1.00
               2633.9346241              0.22143925310D-02
                624.00161628             0.18140899141D-01
                200.58528404             0.86632184922D-01
                 75.097081525            0.25649020592
                 30.214388474            0.42658611262
                 12.440087567            0.26200527313
            P    3   1.00
                 45.981316002           -0.20321767678D-01
                  6.9945654416           0.32013744527
                  2.9686001327           0.59051014555
            P    1   1.00
                  1.2320988495           1.0000000
            P    1   1.00
                  0.28981614974          1.0000000
            P    1   1.00
                  0.85564606447D-01      1.0000000
            D    5   1.00
                119.44887581             0.10586544521D-01
                 35.062915293            0.69601280945D-01
                 12.636924529            0.22807035287
                  4.8888672922           0.40301067220
                  1.8453195392           0.41304847015
            D    1   1.00
                  0.63571158892           .19639209740
            D    1   1.00
                  0.35492132             1.0000000
            D    1   1.00
                  0.13155709             1.0000000
            D    1   1.00
                  0.56134940012D-01      1.0000000
            F    1   1.00
                  0.36210645             1.0000000
            ****
            -As     0
            S    8   1.00
             498032.4215800              0.22740196900D-03
              74656.8687430              0.17632816413D-02
              16990.9600040              0.91728040381D-02
               4809.6200321              0.37337829344D-01
               1566.2887055              0.12199536117
                563.21360499             0.29137475324
                219.11179978             0.42326351479
                 86.866061030            0.22921464278
            S    4   1.00
                538.19512479            -0.25254197297D-01
                167.14850224            -0.11915461115
                 27.605517159            0.54628495980
                 11.947858521            0.53001520976
            S    2   1.00
                 18.538023133           -0.23479188136
                  3.2018985739           0.69167053428
            S    1   1.00
                  1.4356522077           1.0000000
            S    1   1.00
                  0.31837805200          1.0000000
            S    1   1.00
                  0.11622632186          1.0000000
            S    1   1.00
                  0.50450200093D-01      1.0000000
            P    6   1.00
               2678.9421546              0.23318955287D-02
                634.61765840             0.19042149977D-01
                203.93967606             0.90229744913D-01
                 76.323890369            0.26169037693
                 30.664124943            0.41857168155
                 12.505056732            0.23447830190
            P    4   1.00
                 49.256229549           -0.21235539870D-01
                  7.7274891466           0.30470206668
                  3.5410493476           0.52888373107
                  1.6985585501           0.37272250955
            P    1   1.00
                  0.76848071044          1.0000000
            P    1   1.00
                  0.30050823260          1.0000000
            P    1   1.00
                  0.98190639437D-01      1.0000000
            D    5   1.00
                135.33289305             0.99291144106D-02
                 39.860212744            0.66568843496D-01
                 14.446428359            0.22275768307
                  5.6432900356           0.40309224382
                  2.1668188623           0.41671667946
            D    1   1.00
                  0.76514970569           .18935502288
            D    1   1.00
                  0.42434653             1.0000000
            D    1   1.00
                  0.16331527             1.0000000
            D    1   1.00
                  0.67575334568D-01      1.0000000
            F    1   1.00
                  0.43271941             1.0000000
            ****
            -Se     0
            S    8   1.00
             531071.6669600              0.24108973168D-03
              79603.0441170              0.18696431441D-02
              18115.8442400              0.97271616536D-02
               5127.8923194              0.39604793031D-01
               1669.9130839              0.12948855136
                600.57534527             0.30959437289
                233.70021247             0.45115769216
                 92.672443932            0.24579189033
            S    4   1.00
                571.57513675            -0.26895707881D-01
                177.63686375            -0.12670989353
                 29.517767052            0.57699001719
                 12.824399795            0.56369075408
            S    2   1.00
                 19.848235841           -0.25132415534
                  3.4744018486           0.72905416980
            S    1   1.00
                  1.5988910849           1.0000000
            S    1   1.00
                  0.38333469387          1.0000000
            S    1   1.00
                  0.14049742459          1.0000000
            S    1   1.00
                  0.45053485505D-01      1.0000000
            P    6   1.00
               2815.3500566              0.25569026854D-02
                666.92558298             0.20874026901D-01
                214.34213188             0.98772096250D-01
                 80.246687942            0.28471821221
                 32.251081288            0.45003584934
                 13.106432562            0.24416091055
            P    4   1.00
                 53.366108516           -0.21558456273D-01
                  8.1827777195           0.32662310638
                  3.6239945672           0.57740499319
                  1.6341591401           0.34301320826
            P    1   1.00
                  0.58418320228          1.0000000
            P    1   1.00
                  0.23966269279          1.0000000
            P    1   1.00
                  0.88785134803D-01      1.0000000
            P    1   1.00
                  0.26632920997D-01      1.0000000
            D    5   1.00
                151.82910279             0.93970276988D-02
                 44.839992523            0.64086503991D-01
                 16.328999510            0.21834238004
                  6.4305057612           0.40314789649
                  2.5048025169           0.41966491490
            D    1   1.00
                  0.90271148434           .18366663432
            D    1   1.00
                  0.47683613             1.0000000
            D    1   1.00
                  0.18535160             1.0000000
            D    1   1.00
                  0.64254758023D-01      1.0000000
            F    1   1.00
                  0.48866905             1.0000000
            ****
            -Br     0
            S    8   1.00
             565073.2525600              0.23660314690D-03
              84701.7231790              0.18348332508D-02
              19276.2719000              0.95465849860D-02
               5456.4284576              0.38877142153D-01
               1776.9503500              0.12718314231
                639.19398276             0.30437662191
                248.78823961             0.44490940497
                 98.678305494            0.24381643058
            S    4   1.00
                606.07824568            -0.26527158709D-01
                188.45598484            -0.12484584809
                 31.497144506            0.56468683559
                 13.736008320            0.55555268564
            S    2   1.00
                 21.203212766           -0.24940920493
                  3.7616420178           0.71213119743
            S    1   1.00
                  1.7735933962           1.0000000
            S    1   1.00
                  0.45197413664          1.0000000
            S    1   1.00
                  0.16613377099          1.0000000
            S    1   1.00
                  0.52769579657D-01      1.0000000
            P    6   1.00
               3019.6955723              0.24971049798D-02
                715.35481126             0.20419267596D-01
                229.98328751             0.96897148309D-01
                 86.167844615            0.28053901252
                 34.667870802            0.44606390473
                 14.113870307            0.24410073923
            P    4   1.00
                 57.085653082           -0.21855950710D-01
                  8.8193845840           0.32707075320
                  3.9340302872           0.57855229520
                  1.7998830384           0.33570987698
            P    1   1.00
                  0.66899410512          1.0000000
            P    1   1.00
                  0.27136238231          1.0000000
            P    1   1.00
                  0.10083790243          1.0000000
            P    1   1.00
                  0.29005224647D-01      1.0000000
            D    5   1.00
                168.85370257             0.89663981988D-02
                 49.977949919            0.62062059316D-01
                 18.274913338            0.21474732384
                  7.2455694631           0.40335336746
                  2.8562315025           0.42208813080
            D    1   1.00
                  1.0459621144            .17874813267
            D    1   1.00
                  0.56865655             1.0000000
            D    1   1.00
                  0.22031490             1.0000000
            D    1   1.00
                  0.75865567476D-01      1.0000000
            F    1   1.00
                  0.57083312             1.0000000
            ****
            -Kr     0
            S    8   1.00
             600250.9757500              0.23740610399D-03
              89976.6507810              0.18410240539D-02
              20476.8142250              0.95795580699D-02
               5796.1554078              0.39020650488D-01
               1887.5913196              0.12772645628
                679.11458519             0.30596521300
                264.38244511             0.44857474437
                104.88368574             0.24722957327
            S    4   1.00
                641.47370764            -0.26745279805D-01
                199.57524820            -0.12571122567
                 33.545462954            0.56483736390
                 14.683955144            0.55972765539
            S    2   1.00
                 22.603101860           -0.25298771800
                  4.0650682991           0.70992159965
            S    1   1.00
                  1.9611027060           1.0000000
            S    1   1.00
                  0.52465147979          1.0000000
            S    1   1.00
                  0.19332399511          1.0000000
            S    1   1.00
                  0.61730246979D-01      1.0000000
            P    6   1.00
               3232.9589614              0.24885607974D-02
                765.96442694             0.20379007428D-01
                246.33940810             0.96977188584D-01
                 92.365283041            0.28199960954
                 37.199509551            0.45116254358
                 15.172166534            0.24917131496
            P    4   1.00
                 60.931321698           -0.22173603519D-01
                  9.4792600646           0.32838462778
                  4.2564686326           0.58124997120
                  1.9729313762           0.32863541783
            P    1   1.00
                  0.76337108716          1.0000000
            P    1   1.00
                  0.30943625526          1.0000000
            P    1   1.00
                  0.11569704458          1.0000000
            P    1   1.00
                  0.32364688085D-01      1.0000000
            D    5   1.00
                186.41760904             0.86120284601D-02
                 55.274124345            0.60394406304D-01
                 20.283219120            0.21181331869
                  8.0884536976           0.40366293413
                  3.2214033853           0.42402860686
            D    1   1.00
                  1.1952170102            .17441742274
            D    1   1.00
                  0.6480000              1.0000000
            D    1   1.00
                  0.2510000              1.0000000
            D    1   1.00
                  0.87900125404D-01      1.0000000
            F    1   1.00
                  0.6280000              1.0000000
            ****
            -Rb     0
            S    2   1.00
                  7.4744618040           0.26997866363
                  6.7296180594          -0.42629251814
            S    1   1.00
                  2.7816640004           1.0000000
            S    1   1.00
                  0.53452175148          1.0000000
            S    1   1.00
                  0.22368793034          1.0000000
            S    1   1.00
                  0.32410407052D-01      1.0000000
            S    1   1.00
                  0.14171047424D-01      1.0000000
            P    4   1.00
                  5.6720643194           0.48114224135D-01
                  3.3320183956          -0.18485131426
                  0.80150054910          0.42811864954
                  0.36302220227          0.58673165411
            P    1   1.00
                  0.15733924392          1.0000000
            P    1   1.00
                  0.40000000000D-01      1.0000000
            P    1   1.00
                  0.16000000000D-01      1.0000000
            D    1   1.00
                  0.25907866956          0.76806746340D-01
            D    1   1.00
                  0.42507438045D-01      0.37846160487
            D    1   1.00
                  0.11909276840D-01      1.0000000
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                 33.404240134            0.68377675770D-02
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            ****
            -Xe     0
            S    5   1.00
               6420.2481656              0.25092173886D-03
                983.54530664             0.16251948178D-02
                219.43881364             0.46037106451D-02
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                  6.2390917199           0.38470524721
            S    1   1.00
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            P    1   1.00
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            P    1   1.00
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                 38.727062692            0.60897654151D-02
                 15.377328089           -0.92782985596D-02
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            D    1   1.00
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            ****
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            S    3   1.00
                  5.8778113443           0.12859994983
                  4.3631538286          -0.34632569725
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            S    1   1.00
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            P    1   1.00
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            D    1   1.00
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            D    1   1.00
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            ****
            -Ba     0
            S    2   1.00
                  6.0000000000          -0.56587174838
                  4.9822082226           0.97514768535
            S    1   1.00
                  2.1451943914           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  4.9017938336           0.67755479813
                  2.6142685062          -0.46010554954
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            P    1   1.00
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            D    1   1.00
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                 10.00                   0.073
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            ****
            -La     0
            S    2   1.00
                  5.0873990000          -0.44174952534
                  4.2709780000           0.85812466843
            S    1   1.00
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            S    1   1.00
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                  3.6808191615           0.14675038550
                  2.3265462081          -0.35581819167
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            P    1   1.00
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            P    1   1.00
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            D    1   1.00
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            -Hf     0
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                 16.000000000           -3.5064630782
                 14.400000000            4.3082581000
                 10.304504667           -0.91045809742
            S    1   1.00
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                  4.9203967161          -0.28227924657
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            P    1   1.00
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            D    1   1.00
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            ****
            -Ta     0
            S    4   1.00
                 24.473650944            0.20590322488
                 18.721372549           -0.74670795514
                 11.500000000            3.4071363897
                 10.350000000           -2.8175487609
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.008186536            0.10336287365
                  5.0278760583          -0.28526521696
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    3   1.00
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            D    1   1.00
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            -W     0
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                 30.000000000            0.32246483410
                 27.000000000           -0.46692257214
                 13.078045684            0.42699563776
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 12.431973432            0.10905673845
                  5.1586217658          -0.29399955020
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  5.9026268603          -0.17667540011
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            D    1   1.00
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            D    1   1.00
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            ****
            -Re     0
            S    3   1.00
                 30.000000000            0.31780717811
                 27.000000000           -0.46492321332
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 12.318606250            0.99711498502D-01
                  5.3719234505          -0.29289398145
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.0949443610          -0.17722258734
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            D    1   1.00
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            D    1   1.00
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            ****
            -Os     0
            S    3   1.00
                 30.000000000            0.32213004804
                 27.000000000           -0.47922918137
                 13.524730005            0.47465946837
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000           -0.23201520402
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                  1.4139502215          -0.54253238176
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  6.3060397430          -0.16444229630
                  1.4890109110           0.55154541033
                  0.67315390607          0.88461370291
            D    1   1.00
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            D    1   1.00
                  0.11058012051          1.0000000
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                  0.5506500              1.0000000
            ****
            -Ir     0
            S    3   1.00
                 30.000000000            0.30797903228
                 27.000000000           -0.46726361781
                 13.961973911            0.47161003146
            S    1   1.00
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            P    4   1.00
                 15.902664143           -0.16290720099
                 14.415830698            0.23483212987
                  5.7597608991          -0.30305337176
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  6.5898192302          -0.17326965173
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                  0.71827834905          0.85273641436
            D    1   1.00
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            D    1   1.00
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            ****
            -Pt     0
            S    3   1.00
                 30.000000000            0.27148263900
                 27.000000000           -0.42226758774
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                 14.000000000            0.23853412989
                  6.1161212339          -0.31041379733
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.4207226520          -0.90271847072D-01
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            D    1   1.00
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            D    1   1.00
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            ****
            -Au     0
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                 27.000000000           -0.33267893394
                 14.746824331            0.38302817958
            S    1   1.00
                  5.6017248938           1.0000000
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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                  1.6595601681          -0.57279670446
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  7.2698886937          -0.93690906606D-01
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                  0.79960541055          0.46795192483
            D    1   1.00
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            D    1   1.00
                  0.12445133105          1.0000000
            F    1   1.00
                  0.7248200              1.0000000
            ****
            -Hg     0
            S    3   1.00
                 48.013786990            0.58008164912D-02
                 21.239875095           -0.17328165235
                 15.876100879            0.36416685034
            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            S    1   1.00
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            P    4   1.00
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                 15.252594855            0.15327318234
                  6.4404715169          -0.30274955249
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            P    1   1.00
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            P    1   1.00
                  0.41304540122          1.0000000
            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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            D    4   1.00
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                  7.5920661493          -0.94774230522D-01
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                  0.88641552102          0.45567078406
            D    1   1.00
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            D    1   1.00
                  0.14880740086          1.0000000
            F    1   1.00
                  0.7956900              1.0000000
            ****
            -Tl     0
            S    4   1.00
                729.65038145             0.13672829828D-03
                 46.665548707            0.60443439951D-02
                 20.970448726           -0.20022066697
                 14.149588677            0.40801678488
            S    2   1.00
                 20.730134285           -0.71861135918D-01
                  6.1527631309           0.98057508445
            S    1   1.00
                  1.5757324480           1.0000000
            S    1   1.00
                  0.74980169458          1.0000000
            S    1   1.00
                  0.19536816194          1.0000000
            S    1   1.00
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            S    1   1.00
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            P    3   1.00
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                 14.814929544           -0.72859235151
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            P    3   1.00
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            P    1   1.00
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            P    1   1.00
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            P    1   1.00
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                  9.7368866667           0.24456562496D-01
                  6.9256201679          -0.69914775031D-01
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                  1.0836187110           0.29731629705
                  0.52356298209          0.23728708102
            D    1   1.00
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            D    1   1.00
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            D    1   1.00
                  0.30807799761D-01      1.0000000
            F    1   1.00
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            F    1   1.00
                  0.2843500              1.0000000
            ****
            -Pb     0
            S    4   1.00
                591.61124370             0.22126521076D-03
                 46.757232559            0.56961959130D-02
                 20.746462696           -0.21374063831
                 14.610796419            0.40502620616
            S    2   1.00
                 20.222637612           -0.83541883299D-01
                  6.4767324865           0.97910892388
            S    1   1.00
                  1.6600600927           1.0000000
            S    1   1.00
                  0.80431655001          1.0000000
            S    1   1.00
                  0.22627039020          1.0000000
            S    1   1.00
                  0.84014530665D-01      1.0000000
            S    1   1.00
                  0.28533321717D-01      1.0000000
            P    3   1.00
                 15.189102118            0.61952303583
                 14.693144415           -0.72498497086
                  6.8705890048           0.37680007984
            P    3   1.00
                  2.2021426123           0.40196284806
                  1.2209125119           0.46058131862
                  0.63367559815          0.19367655397
            P    1   1.00
                  0.28202837058          1.0000000
            P    1   1.00
                  0.11333375666          1.0000000
            P    1   1.00
                  0.43948707430D-01      1.0000000
            D    6   1.00
                 61.315369628            0.33870800787D-03
                 12.372195840            0.13788683942D-01
                  6.9254944983          -0.75979608103D-01
                  2.3319539939           0.28113784298
                  1.2108730003           0.44474512269
                  0.60090478506          0.35326874351
            D    1   1.00
                  0.28135869813          1.0000000
            D    1   1.00
                  0.11500000000          1.0000000
            D    1   1.00
                  0.40071342706D-01      1.0000000
            F    1   1.00
                  1.0000000              1.0000000
            F    1   1.00
                  0.2896200              1.0000000
            ****
            -Bi     0
            S    4   1.00
                716.41435310             0.31254307133D-03
                 83.806059047            0.17624768946D-02
                 21.116962853           -0.21910983437
                 15.491448187            0.40411224931
            S    2   1.00
                 23.239855029           -0.68255758685D-01
                  6.6474255000           0.97888046471
            S    1   1.00
                  1.7617744005           1.0000000
            S    1   1.00
                  0.87252866000          1.0000000
            S    1   1.00
                  0.25618895997          1.0000000
            S    1   1.00
                  0.97073913006D-01      1.0000000
            S    1   1.00
                  0.35808906242D-01      1.0000000
            P    3   1.00
                 15.249644669            0.74560356000
                 14.846176053           -0.85578637338
                  7.0636826784           0.40149159592
            P    3   1.00
                  2.5881255616           0.35542729633
                  1.5020208499           0.63976991890
                  0.76732724388          0.32332773839
            P    1   1.00
                  0.32797648982          1.0000000
            P    1   1.00
                  0.13820335991          1.0000000
            P    1   1.00
                  0.55137330969D-01      1.0000000
            D    6   1.00
                 66.404481948            0.38102878348D-03
                 13.858426961            0.10746152442D-01
                  7.0654519000          -0.71947646845D-01
                  2.5252144035           0.26195974989
                  1.3419585000           0.42594750000
                  0.68340941000          0.33680325627
            D    1   1.00
                  0.32934755420          1.0000000
            D    1   1.00
                  0.14000000000          1.0000000
            D    1   1.00
                  0.50194378647D-01      1.0000000
            F    1   1.00
                  1.0500000              1.0000000
            F    1   1.00
                  0.3127100              1.0000000
            ****
            -Po     0
            S    5   1.00
               6744.8211765              0.76891556363D-04
                744.41892532             0.71284827354D-03
                131.04029309             0.22057583958D-02
                 19.662021030           -0.64364713744
                 16.623025609            0.91997150546
            S    2   1.00
                 23.094002965           -0.70404410177D-01
                  6.9707398381           0.97886540086
            S    1   1.00
                  1.8497377593           1.0000000
            S    1   1.00
                  0.93082999263          1.0000000
            S    1   1.00
                  0.28673026462          1.0000000
            S    1   1.00
                  0.10979212169          1.0000000
            S    1   1.00
                  0.35812540416D-01      1.0000000
            P    4   1.00
                  8.9027395407          -0.13798250445
                  5.7414667465           0.26304005326
                  1.9896329823           0.66225846161
                  0.94703210822          0.39547051892
            P    3   1.00
                253.99024497             0.83876362116D-04
                  9.8712718748           0.24572710458
                  7.4489893496          -0.44297763661
            P    1   1.00
                  0.37071136280          1.0000000
            P    1   1.00
                  0.15554706086          1.0000000
            P    1   1.00
                  0.61173720818D-01      1.0000000
            P    1   1.00
                  0.19437729576D-01      1.0000000
            D    6   1.00
                 67.943077046            0.48919125336D-03
                 14.914219894            0.10157120776D-01
                  7.2973948305          -0.69943263066D-01
                  2.6826784400           0.26244730680
                  1.4374143009           0.42702361494
                  0.73903797417          0.32502435477
            D    1   1.00
                  0.35838153281          1.0000000
            D    1   1.00
                  0.15000000000          1.0000000
            D    1   1.00
                  0.51710661379D-01      1.0000000
            F    1   1.00
                  1.4000000              1.0000000
            F    1   1.00
                  0.3327500              1.0000000
            ****
            -At     0
            S    5   1.00
               3635.9809356              0.12571463494D-03
                537.64129823             0.75950883820D-03
                 91.600030756            0.25790982348D-02
                 20.200005804           -0.54772187699
                 16.893873824            0.78417507786
            S    2   1.00
                 18.177216938           -0.13023627002
                  7.2317852082           0.96473566747
            S    1   1.00
                  1.9496199739           1.0000000
            S    1   1.00
                  0.99226695236          1.0000000
            S    1   1.00
                  0.31957178881          1.0000000
            S    1   1.00
                  0.12342539809          1.0000000
            S    1   1.00
                  0.40936378211D-01      1.0000000
            P    4   1.00
                  8.9484156471          -0.15012953475
                  5.9694592464           0.27048141788
                  2.1099088209           0.63671217722
                  1.0236370373           0.38057472615
            P    3   1.00
                216.81518928             0.16975297090D-03
                 10.592298115            0.22683755793
                  7.4596585430          -0.47336848377
            P    1   1.00
                  0.42186356565          1.0000000
            P    1   1.00
                  0.17757132268          1.0000000
            P    1   1.00
                  0.69670886939D-01      1.0000000
            P    1   1.00
                  0.20397906578D-01      1.0000000
            D    6   1.00
                 70.619633393            0.59974022914D-03
                 16.212096478            0.93445952839D-02
                  7.3607401479          -0.70748413897D-01
                  2.9309052592           0.24037366077
                  1.6085414823           0.41841372624
                  0.84194162715          0.32832651044
            D    1   1.00
                  0.41335677957          1.0000000
            D    1   1.00
                  0.17400000000          1.0000000
            D    1   1.00
                  0.59789898654D-01      1.0000000
            F    1   1.00
                  1.8000000              1.0000000
            F    1   1.00
                  0.3740800              1.0000000
            ****
            -Rn     0
            S    5   1.00
               5187.7442468              0.16097034848D-03
                768.14491207             0.10508214789D-02
                159.35182065             0.27375438093D-02
                 21.863432724           -0.55045904905
                 18.388689978            0.78321373922
            S    2   1.00
                 24.816226448           -0.82636797204D-01
                  7.2923301677           1.0926256000
            S    1   1.00
                  2.0850437166           1.0000000
            S    1   1.00
                  1.0915245945           1.0000000
            S    1   1.00
                  0.34915708428          1.0000000
            S    1   1.00
                  0.13648422952          1.0000000
            S    1   1.00
                  0.46837581728D-01      1.0000000
            P    4   1.00
                  9.0845000304          -0.23093917426
                  6.2631489717           0.39747614192
                  2.2545193734           0.83026693838
                  1.1180666918           0.51467013112
            P    3   1.00
                194.68918723             0.26265814046D-03
                 11.210013525            0.19952302621
                  7.5298316489          -0.45994479561
            P    1   1.00
                  0.47444492594          1.0000000
            P    1   1.00
                  0.20172354616          1.0000000
            P    1   1.00
                  0.79503144392D-01      1.0000000
            P    1   1.00
                  0.22264519316D-01      1.0000000
            D    6   1.00
                 75.302723665            0.73590238429D-03
                 17.965913830            0.89490827389D-02
                  7.3741298033          -0.76641663693D-01
                  3.2296258578           0.22975404602
                  1.7937840508           0.43991495311
                  0.94633319732          0.35259395198
            D    1   1.00
                  0.46860482223          1.0000000
            D    1   1.00
                  0.20000000000          1.0000000
            D    1   1.00
                  0.68815941916D-01      1.0000000
            F    1   1.00
                  2.1000000              1.0000000
            F    1   1.00
                  0.4180600              1.0000000
            ****
            
            -RB     0
            RB-ECP     3     28
            f potential
              1
            2      3.8431140            -12.3169000
            s-f potential
              3
            2      5.0365510             89.5001980
            2      1.9708490              0.4937610
            2      3.8431140             12.3169000
            p-f potential
              3
            2      4.2583410             58.5689740
            2      1.4707090              0.4317910
            2      3.8431140             12.3169000
            d-f potential
              3
            2      3.0231270             26.2248980
            2      0.6503830              0.9628390
            2      3.8431140             12.3169000
            -SR     0
            SR-ECP     3     28
            f potential
              1
            2      4.6339750            -15.8059920
            s-f potential
              3
            2      7.4000740            135.4794300
            2      3.6063790             17.5344630
            2      4.6339750             15.8059920
            p-f potential
              3
            2      6.4848680             88.3597090
            2      3.2880530             15.3943720
            2      4.6339750             15.8059920
            d-f potential
              3
            2      4.6228410             29.8889870
            2      2.2469040              6.6594140
            2      4.6339750             15.8059920
            -Y     0
            Y-ECP     3     28
            f potential
              2
            2      6.5842120            -19.12219811
            2      3.2921060             -2.43637543
            s-f potential
              4
            2      7.4880494            135.15384412
            2      3.7440247             15.55244130
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            p-f potential
              4
            2      6.4453772             87.78499167
            2      3.2226886             11.56406599
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            d-f potential
              4
            2      4.6584472             29.70100072
            2      2.3292236              5.53996847
            2      6.5842120             19.12219811
            2      3.2921060              2.43637543
            -ZR     0
            ZR-ECP     3     28
            f potential
              2
            2      7.5400000            -21.09377605
            2      3.7700000             -3.08069427
            s-f potential
              4
            2      8.2000000            150.26759106
            2      4.0897278             18.97621650
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            p-f potential
              4
            2      7.1100000             99.62212372
            2      3.5967980             14.16873329
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            d-f potential
              4
            2      5.3500000             35.04512355
            2      2.4918215              6.11125948
            2      7.5400000             21.09377605
            2      3.7700000              3.08069427
            -NB     0
            NB-ECP     3     28
            f potential
              2
            2      8.4900000            -22.92954996
            2      4.2500000             -3.66630986
            s-f potential
              4
            2      8.9000000            165.17914349
            2      4.4300000             21.99297437
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            p-f potential
              4
            2      7.7700000            111.79441445
            2      3.9600000             16.63348326
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            d-f potential
              4
            2      6.0500000             38.11224880
            2      2.8400000              8.03916727
            2      8.4900000             22.92954996
            2      4.2500000              3.66630986
            -MO     0
            MO-ECP     3     28
            f potential
              2
            2      9.4500000            -24.80517707
            2      4.7200000             -4.15378155
            s-f potential
              4
            2      9.7145938            180.10310850
            2      4.6805004             24.99722791
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            p-f potential
              4
            2      8.1421366            123.77275231
            2      4.6259863             19.53022800
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            d-f potential
              4
            2      6.6184148             48.37502229
            2      3.2487516              8.89205274
            2      9.4500000             24.80517707
            2      4.7200000              4.15378155
            -TC     0
            TC-ECP     3     28
            f potential
              2
            2     10.4000000            -26.56244747
            2      5.2000000             -4.58568054
            s-f potential
              4
            2     10.4223462            195.15916591
            2      5.0365160             28.09260333
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            p-f potential
              4
            2      8.9504494            135.28456622
            2      4.8544394             21.80650430
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            d-f potential
              4
            2      6.9456968             54.32972942
            2      3.9705849             11.15506795
            2     10.4000000             26.56244747
            2      5.2000000              4.58568054
            -RU     0
            RU-ECP     3     28
            f potential
              2
            2     11.3600000            -28.34061627
            2      5.6800000             -4.94462923
            s-f potential
              4
            2     11.1052693            209.82297122
            2      5.4147454             30.65472642
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            p-f potential
              4
            2      9.7712707            146.33618228
            2      5.0739908             24.12787723
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            d-f potential
              4
            2      7.6714231             67.51589667
            2      4.1365647              9.87010415
            2     11.3600000             28.34061627
            2      5.6800000              4.94462923
            -RH     0
            RH-ECP     3     28
            f potential
              2
            2     12.3100000            -30.09345572
            2      6.1600000             -5.21848192
            s-f potential
              4
            2     11.7200000            225.34775353
            2      5.8200000             32.82318898
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            p-f potential
              4
            2     10.4200000            158.70941159
            2      5.4500000             26.44410049
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            d-f potential
              4
            2      8.8200000             62.75862572
            2      3.8700000             10.97871947
            2     12.3100000             30.09345572
            2      6.1600000              5.21848192
            -PD     0
            PD-ECP     3     28
            f potential
              2
            2     13.2700000            -31.92955431
            2      6.6300000             -5.39821694
            s-f potential
              4
            2     12.4300000            240.22904033
            2      6.1707594             35.17194347
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            p-f potential
              4
            2     11.0800000            170.41727605
            2      5.8295541             28.47213287
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            d-f potential
              4
            2      9.5100000             69.01384488
            2      4.1397811             11.75086158
            2     13.2700000             31.92955431
            2      6.6300000              5.39821694
            -AG     0
            AG-ECP     3     28
            f potential
              2
            2     14.2200000            -33.68992012
            2      7.1100000             -5.53112021
            s-f potential
              4
            2     13.1300000            255.13936452
            2      6.5100000             36.86612154
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            p-f potential
              4
            2     11.7400000            182.18186871
            2      6.2000000             30.35775148
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            d-f potential
              4
            2     10.2100000             73.71926087
            2      4.3800000             12.50211712
            2     14.2200000             33.68992012
            2      7.1100000              5.53112021
            -CD     0
            CD-ECP     3     28
            f potential
              2
            2     15.1847957            -35.47662555
            2      7.5923978             -5.61767685
            s-f potential
              4
            2     13.8358689            270.00948324
            2      6.8572704             38.76730798
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            p-f potential
              4
            2     12.4049710            193.82962939
            2      6.5677995             31.89652523
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            d-f potential
              4
            2     10.8969253             79.19364700
            2      4.6411649             13.23082674
            2     15.1847957             35.47662555
            2      7.5923978              5.61767685
            -IN     0
            IN-ECP     3     28
            f potential
              2
            2     12.53905600           -13.72807800
            2     12.55256100           -18.20686600
            s-f potential
              4
            2     15.39282200           281.12235000
            2      8.05586400            61.90147000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            p-f potential
              6
            2     13.92867200            67.46215400
            2     13.34723400           134.94925000
            2      7.61413200            14.74614000
            2      7.31836500            29.63926200
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            d-f potential
              6
            2     14.03471500            35.49325400
            2     14.51161600            53.17877300
            2      5.55055000             9.17728100
            2      5.05941500            12.39241000
            2     12.53905600            13.72807800
            2     12.55256100            18.20686600
            -SN     0
            SN-ECP     3     28
            f potential
              2
            2     12.28234800           -12.57633300
            2     12.27215000           -16.59594400
            s-f potential
              4
            2     17.42041400           279.98868200
            2      7.63115500            62.37781000
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            p-f potential
              6
            2     16.13102400            66.16252300
            2     15.62807700           132.17439600
            2      7.32560800            16.33941700
            2      6.94251900            32.48895900
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            d-f potential
              6
            2     15.51497600            36.38744100
            2     15.18816000            54.50784100
            2      5.45602400             8.69682300
            2      5.36310500            12.84020800
            2     12.28234800            12.57633300
            2     12.27215000            16.59594400
            -SB     0
            SB-ECP     3     28
            f potential
              2
            2     14.44497800           -15.36680100
            2     14.44929500           -20.29613800
            s-f potential
              4
            2     16.33086500           281.07158100
            2      8.55654200            61.71660400
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            p-f potential
              6
            2     14.47033700            67.45738000
            2     13.81619400           134.93350300
            2      8.42492400            14.71634400
            2      8.09272800            29.51851200
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            d-f potential
              6
            2     14.88633100            35.44781500
            2     15.14631900            53.14346600
            2      5.90826700             9.17922300
            2      5.59432200            13.24025300
            2     14.44497800            15.36680100
            2     14.44929500            20.29613800
            -TE     0
            TE-ECP     3     28
            f potential
              2
            2     15.20616800           -15.74545000
            2     15.20170200           -20.74244800
            s-f potential
              4
            2     16.81447300           281.04584300
            2      8.79352600            61.62065600
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            p-f potential
              6
            2     14.87780100            67.44946400
            2     14.26973100           134.90430400
            2      8.72443500            14.68954700
            2      8.29151500            29.41506300
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            d-f potential
              6
            2     15.20500800            35.43205700
            2     15.22584800            53.13568700
            2      6.07176900             9.06980200
            2      5.80476000            13.12230400
            2     15.20616800            15.74545000
            2     15.20170200            20.74244800
            -I     0
            I-ECP     3     28
            f potential
              4
            2     19.45860900           -21.84204000
            2     19.34926000           -28.46819100
            2      4.82376700            -0.24371300
            2      4.88431500            -0.32080400
            s-f potential
              7
            2     40.01583500            49.99429300
            2     17.42974700           281.02531700
            2      9.00548400            61.57332600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            p-f potential
              8
            2     15.35546600            67.44284100
            2     14.97183300           134.88113700
            2      8.96016400            14.67505100
            2      8.25909600            29.37566600
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            d-f potential
              10
            2     15.06890800            35.43952900
            2     14.55532200            53.17605700
            2      6.71864700             9.06719500
            2      6.45639300            13.20693700
            2      1.19177900             0.08933500
            2      1.29115700             0.05238000
            2     19.45860900            21.84204000
            2     19.34926000            28.46819100
            2      4.82376700             0.24371300
            2      4.88431500             0.32080400
            -XE     0
            XE-ECP     3     28
            f potential
              4
            2     20.88155700           -23.08929500
            2     20.78344300           -30.07447500
            2      5.25338900            -0.28822700
            2      5.36118800            -0.38692400
            s-f potential
              7
            2     40.00518400            49.99796200
            2     17.81221400           281.01330300
            2      9.30415000            61.53825500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            p-f potential
              8
            2     15.70177200            67.43914200
            2     15.25860800           134.87471100
            2      9.29218400            14.66330000
            2      8.55900300            29.35473000
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            d-f potential
              10
            2     15.18560000            35.43690800
            2     14.28450000            53.19577200
            2      7.12188900             9.04623200
            2      6.99196300            13.22368100
            2      0.62394600             0.08485300
            2      0.64728400             0.04415500
            2     20.88155700            23.08929500
            2     20.78344300            30.07447500
            2      5.25338900             0.28822700
            2      5.36118800             0.38692400
            -CS     0
            CS-ECP     3     46
            f potential
              1
            2      3.1232690            -28.8843090
            s-f potential
              3
            2      4.0797500             84.5477300
            2      2.4174060             16.6541730
            2      3.1232690             28.8843090
            p-f potential
              3
            2      5.5140800            157.0490590
            2      2.1603160             26.4233070
            2      3.1232690             28.8843090
            d-f potential
              3
            2      1.8074100             13.1727530
            2      0.8581820              3.3428330
            2      3.1232690             28.8843090
            -BA     0
            BA-ECP     3     46
            f potential
              1
            2      3.5894650            -33.4731740
            s-f potential
              3
            2      9.5269860            427.8458160
            2      4.4875100            204.4175300
            2      3.5894650             33.4731740
            p-f potential
              3
            2      8.3159300            293.6058640
            2      4.2922170            294.1933160
            2      3.5894650             33.4731740
            d-f potential
              3
            2      5.9161080            112.5504020
            2      2.8748420            181.7826210
            2      3.5894650             33.4731740
            -LA     0
            LA-ECP     3     46
            f potential
              1
            2      4.0286000            -36.0100160
            s-f potential
              3
            2      3.3099000             91.9321770
            2      1.6550000             -3.7887640
            2      4.0286000             36.0100160
            p-f potential
              3
            2      2.8368000             63.7594860
            2      1.4184000             -0.6479580
            2      4.0286000             36.0100160
            d-f potential
              3
            2      2.0213000             36.1161730
            2      1.0107000              0.2191140
            2      4.0286000             36.0100160
            -HF     0
            HF-ECP     3     60
            f potential
              1
            2      1.78576984            10.04672251
            s-f potential
              3
            2     14.76995900          1499.28471073
            2      7.38497940            40.28210136
            2      1.78576984           -10.04672251
            p-f potential
              3
            2      9.84948950           397.73300533
            2      4.92474450            19.31640586
            2      1.78576984           -10.04672251
            d-f potential
              3
            2      6.09675640           101.32980526
            2      3.04837820             5.87343821
            2      1.78576984           -10.04672251
            -TA     0
            TA-ECP     3     60
            f potential
              1
            2      2.01788111            12.01796094
            s-f potential
              3
            2     14.54640770          1345.88064703
            2      7.27320380            36.76680620
            2      2.01788111           -12.01796094
            p-f potential
              3
            2      9.93556529           378.42530145
            2      4.96778243            22.29309086
            2      2.01788111           -12.01796094
            d-f potential
              3
            2      6.34737691           104.88395571
            2      3.17368846             8.75584805
            2      2.01788111           -12.01796094
            -W     0
            W-ECP     3     60
            f potential
              1
            2      2.25888846            14.15257947
            s-f potential
              3
            2     14.32285640          1192.39588226
            2      7.16142810            32.52293315
            2      2.25888846           -14.15257947
            p-f potential
              3
            2     10.02164110           359.03196711
            2      5.01082040            24.03038019
            2      2.25888846           -14.15257947
            d-f potential
              3
            2      6.59799743           108.30134897
            2      3.29899871            10.98252827
            2      2.25888846           -14.15257947
            -RE     0
            RE-ECP     3     60
            f potential
              1
            2      2.50865059            16.44985227
            s-f potential
              3
            2     14.09930510          1038.95157226
            2      7.04965250            29.56173830
            2      2.50865059           -16.44985227
            p-f potential
              3
            2     10.10771690           339.54350965
            2      5.05385830            24.91369646
            2      2.50865059           -16.44985227
            d-f potential
              3
            2      6.84861794           111.69965275
            2      3.42430897            12.62432927
            2      2.50865059           -16.44985227
            -OS     0
            OS-ECP     3     60
            f potential
              1
            2      2.76707510            18.90945701
            s-f potential
              3
            2     13.87575390           885.40571914
            2      6.93787690            25.96704014
            2      2.76707510           -18.90945701
            p-f potential
              3
            2     10.19379260           320.08390185
            2      5.09689620            26.14876493
            2      2.76707510           -18.90945701
            d-f potential
              3
            2      7.09923846           115.04484313
            2      3.54961923            13.62257457
            2      2.76707510           -18.90945701
            -IR     0
            IR-ECP     3     60
            f potential
              1
            2      3.03407192            21.53103107
            s-f potential
              3
            2     13.65220260           732.26919978
            2      6.82610130            26.48472087
            2      3.03407192           -21.53103107
            p-f potential
              3
            2     10.27986840           299.48947357
            2      5.13993410            26.46623354
            2      3.03407192           -21.53103107
            d-f potential
              3
            2      7.34985897           124.45759451
            2      3.67492949            14.03599518
            2      3.03407192           -21.53103107
            -PT     0
            PT-ECP     3     60
            f potential
              1
            2      3.30956857            24.31437573
            s-f potential
              3
            2     13.42865130           579.22386092
            2      6.71432560            29.66949062
            2      3.30956857           -24.31437573
            p-f potential
              3
            2     10.36594420           280.86077422
            2      5.18297210            26.74538204
            2      3.30956857           -24.31437573
            d-f potential
              3
            2      7.60047949           120.39644429
            2      3.80023974            15.81092058
            2      3.30956857           -24.31437573
            -AU     0
            AU-ECP     3     60
            f potential
              2
            2      4.78982000            30.49008890
            2      2.39491000             5.17107381
            s-f potential
              4
            2     13.20510000           426.84667920
            2      6.60255000            37.00708285
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            p-f potential
              4
            2     10.45202000           261.19958038
            2      5.22601000            26.96249604
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            d-f potential
              4
            2      7.85110000           124.79066561
            2      3.92555000            16.30072573
            2      4.78982000           -30.49008890
            2      2.39491000            -5.17107381
            -HG     0
            HG-ECP     3     60
            f potential
              1
            2      3.88579112            30.36499643
            s-f potential
              3
            2     12.98154870           275.73721174
            2      6.49077440            49.08921249
            2      3.88579112           -30.36499643
            p-f potential
              3
            2     10.53809580           241.54007398
            2      5.26904790            27.39659081
            2      3.88579112           -30.36499643
            d-f potential
              3
            2      8.10172051           127.86700761
            2      4.05086026            16.60831151
            2      3.88579112           -30.36499643
            -TL     0
            TL-ECP     3     60
            f potential
              4
            2      5.62639900            15.82548800
            2      5.54895200            21.10402100
            2      2.87494600             2.91512700
            2      2.82145100             3.89690300
            s-f potential
              6
            2     12.16780500           281.28466300
            2      8.29490900            62.43425100
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            p-f potential
              8
            2      7.15149200             4.63340800
            2      5.17286500             9.34175600
            2      9.89107200            72.29925300
            2      9.00339100           144.55803700
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            d-f potential
              8
            2      7.13021800            35.94303900
            2      6.92690600            53.90959300
            2      5.41757000            10.38193900
            2      5.13868100            15.58382200
            2      5.62639900           -15.82548800
            2      5.54895200           -21.10402100
            2      2.87494600            -2.91512700
            2      2.82145100            -3.89690300
            -PB     0
            PB-ECP     3     60
            f potential
              2
            2      3.88751200            12.20989200
            2      3.81196300            16.19029100
            s-f potential
              4
            2     12.29630300           281.28549900
            2      8.63263400            62.52021700
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            p-f potential
              6
            2     10.24179000            72.27689700
            2      8.92417600           144.59108300
            2      6.58134200             4.75869300
            2      6.25540300             9.94062100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            d-f potential
              6
            2      7.75433600            35.84850700
            2      7.72028100            53.72434200
            2      4.97026400            10.11525600
            2      4.56378900            14.83373100
            2      3.88751200           -12.20989200
            2      3.81196300           -16.19029100
            -BI     0
            BI-ECP     3     60
            f potential
              2
            2      4.21454600            13.71338300
            2      4.13340000            18.19430800
            s-f potential
              4
            2     13.04309000           283.26422700
            2      8.22168200            62.47195900
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            p-f potential
              6
            2     10.46777700            72.00149900
            2      9.11890100           144.00227700
            2      6.75479100             5.00794500
            2      6.25259200             9.99155000
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            d-f potential
              6
            2      8.08147400            36.39625900
            2      7.89059500            54.59766400
            2      4.95555600             9.98429400
            2      4.70455900            14.98148500
            2      4.21454600           -13.71338300
            2      4.13340000           -18.19430800
            -PO     0
            PO-ECP     3     60
            f potential
              4
            2      5.01327000            17.42829500
            2      4.98464000            23.38035300
            2      1.32676000             0.16339200
            2      1.52875800             0.32456600
            s-f potential
              6
            2     13.27722700           283.24470600
            2      8.39951800            62.39646100
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            p-f potential
              8
            2     10.66568200            71.99171600
            2      9.28375300           143.97187100
            2      6.87274900             4.94961500
            2      6.32615000             9.74049900
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            d-f potential
              8
            2      8.21486600            36.37838300
            2      8.00869600            54.56271500
            2      5.05522700             9.88949900
            2      4.78255300            14.69387700
            2      5.01327000           -17.42829500
            2      4.98464000           -23.38035300
            2      1.32676000            -0.16339200
            2      1.52875800            -0.32456600
            -AT     0
            AT-ECP     3     60
            f potential
              4
            2      5.81216300            19.87019800
            2      5.75371500            26.41645200
            2      2.51347200             0.99497000
            2      2.53626100             1.49070100
            s-f potential
              7
            2     30.20083200            49.95715800
            2     13.61230600           283.21037100
            2      8.52934000            62.28105200
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            p-f potential
              8
            2     10.85406500            71.98237100
            2      9.46822900           143.90353200
            2      7.03111400             4.87175900
            2      6.14385800             8.98305900
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            d-f potential
              8
            2      8.31351500            36.36323700
            2      7.99896500            54.54897000
            2      5.17996600             9.77628500
            2      4.94222600            14.26475500
            2      5.81216300           -19.87019800
            2      5.75371500           -26.41645200
            2      2.51347200            -0.99497000
            2      2.53626100            -1.49070100
            -RN     0
            RN-ECP     3     60
            f potential
              4
            2      6.34857100            21.79729000
            2      6.29594900            28.94680500
            2      2.88211800             1.44736500
            2      2.90804800             2.17796400
            s-f potential
              7
            2     30.15124200            49.96555100
            2     14.52124100           283.07000000
            2      8.05203800            62.00287000
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            p-f potential
              8
            2     11.00994200            71.96911900
            2      9.61762500           143.86055900
            2      7.33600800             4.71476100
            2      6.40625300             9.01306500
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            d-f potential
              8
            2      8.36922000            36.36836500
            2      8.11697500            54.55176100
            2      5.35365600             9.63448700
            2      5.09721200            14.38790200
            2      6.34857100           -21.79729000
            2      6.29594900           -28.94680500
            2      2.88211800            -1.44736500
            2      2.90804800            -2.17796400
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/05_alphapinene_STD/Gau-171915.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/B3LYPDBJ_def2TZVPD/05_alphapinene_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=    171949.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                22-Jul-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=42GB
 %chk=05_alphapinene_STD_B3LYPDBJ-def2TZVPDr
 ----------------------------------------------------------------------
 #P B3LYP/Gen EmpiricalDispersion=GD3BJ Integral=UltraFineGrid SCF=(NoS
 ymm,MaxCyc=120) Polar=ROA Guess=Read Geom=Check CPHF=RdFreq
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,30=1,36=2,74=-5,75=-5,116=-2,124=41/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,98=1/2;
 8/6=4,10=90,11=11/1;
 10/13=10,49=112,72=3/2;
 6/7=2,8=2,9=2,10=2,28=1/1;
 7/8=1,25=21/16;
 99/5=1/99;
 Leave Link    1 at Thu Jul 22 18:03:49 2021, MaxMem=  5637144576 cpu:               1.0 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "05_alphapinene_STD_B3LYPDBJ-def2TZVPDr.chk"
 Charge =  0 Multiplicity = 1
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 1.503651000000      0.908216000000      0.507488000000
  C                                                 0.290384000000      1.804712000000      0.536372000000
  C                                                 1.436486000000     -0.280373000000     -0.092333000000
  C                                                 2.556356000000     -1.268228000000     -0.145852000000
  C                                                 0.123938000000     -0.632595000000     -0.761632000000
  C                                                -1.078310000000     -0.328744000000      0.207184000000
  C                                                -0.867453000000      1.159910000000     -0.235542000000
  C                                                -0.320490000000      0.612788000000     -1.578519000000
  H                                                 2.411320000000      1.240625000000      0.999510000000
  H                                                 0.526867000000      2.781351000000      0.099045000000
  H                                                -0.005727000000      2.005386000000      1.572636000000
  H                                                 3.449206000000     -0.892879000000      0.355226000000
  H                                                 2.817419000000     -1.510836000000     -1.180937000000
  H                                                 2.264835000000     -2.210108000000      0.330473000000
  H                                                 0.146974000000     -1.606808000000     -1.251700000000
  C                                                -0.951378000000     -0.684230000000      1.680802000000
  C                                                -2.395364000000     -0.902700000000     -0.314912000000
  H                                                -1.749053000000      1.803451000000     -0.256178000000
  H                                                -1.103985000000      0.399461000000     -2.300386000000
  H                                                 0.473946000000      1.180887000000     -2.060869000000
  H                                                -0.016390000000     -0.343402000000      2.118644000000
  H                                                -1.008073000000     -1.767780000000      1.815303000000
  H                                                -1.775477000000     -0.242117000000      2.247181000000
  H                                                -2.569985000000     -0.690863000000     -1.368440000000
  H                                                -3.236117000000     -0.490937000000      0.249338000000
  H                                                -2.412689000000     -1.987970000000     -0.187175000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1
 NAtoms=     26 NQM=       26 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          12           1           1
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000   1.0078250   1.0078250
 NucSpn=           0           0           0           0           0           0           0           0           1           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.7928460   2.7928460
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   1.0000000   1.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=           1           1           1           1           1          12          12           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250  12.0000000  12.0000000   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           0           0           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   3.6000000   3.6000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   0.0000000   0.0000000   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   6.0000000   6.0000000   1.0000000   1.0000000   1.0000000

  Atom        21          22          23          24          25          26
 IAtWgt=           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.093368
 Leave Link  101 at Thu Jul 22 18:03:50 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
                          Input orientation:                          
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.503651    0.908216    0.507488
      2          6           0        0.290384    1.804712    0.536372
      3          6           0        1.436486   -0.280373   -0.092333
      4          6           0        2.556356   -1.268228   -0.145852
      5          6           0        0.123938   -0.632595   -0.761632
      6          6           0       -1.078310   -0.328744    0.207184
      7          6           0       -0.867453    1.159910   -0.235542
      8          6           0       -0.320490    0.612788   -1.578519
      9          1           0        2.411320    1.240625    0.999510
     10          1           0        0.526867    2.781351    0.099045
     11          1           0       -0.005727    2.005386    1.572636
     12          1           0        3.449206   -0.892879    0.355226
     13          1           0        2.817419   -1.510836   -1.180937
     14          1           0        2.264835   -2.210108    0.330473
     15          1           0        0.146974   -1.606808   -1.251700
     16          6           0       -0.951378   -0.684230    1.680802
     17          6           0       -2.395364   -0.902700   -0.314912
     18          1           0       -1.749053    1.803451   -0.256178
     19          1           0       -1.103985    0.399461   -2.300386
     20          1           0        0.473946    1.180887   -2.060869
     21          1           0       -0.016390   -0.343402    2.118644
     22          1           0       -1.008073   -1.767780    1.815303
     23          1           0       -1.775477   -0.242117    2.247181
     24          1           0       -2.569985   -0.690863   -1.368440
     25          1           0       -3.236117   -0.490937    0.249338
     26          1           0       -2.412689   -1.987970   -0.187175
 ---------------------------------------------------------------------
                    Distance matrix (angstroms):
                    1          2          3          4          5
     1  C    0.000000
     2  C    1.508826   0.000000
     3  C    1.333057   2.460975   0.000000
     4  C    2.504386   3.878533   1.494266   0.000000
     5  C    2.426597   2.766403   1.514861   2.588411   0.000000
     6  C    2.878676   2.556036   2.533032   3.770684   1.573636
     7  C    2.497514   1.533691   2.720856   4.198377   2.114876
     8  C    2.786789   2.503321   2.468491   3.723842   1.554284
     9  H    1.084640   2.243003   2.110890   2.761745   3.441321
    10  H    2.151643   1.095903   3.199717   4.536286   3.543747
    11  H    2.148614   1.096264   3.174397   4.498224   3.524849
    12  H    2.655619   4.157880   2.150933   1.090480   3.517460
    13  H    3.229331   4.508649   2.146177   1.094721   2.863907
    14  H    3.214760   4.478798   2.142149   1.094992   2.874836
    15  H    3.355691   3.854379   2.183209   2.672575   1.090774
    16  C    3.152732   3.007744   3.001500   3.997739   2.669167
    17  C    4.376994   3.907430   3.888432   4.968070   2.572819
    18  H    3.459005   2.188022   3.810095   5.289984   3.114145
    19  H    3.865586   3.459218   3.433899   4.563036   2.222768
    20  H    2.780485   2.677408   2.633799   3.741909   2.258150
    21  H    2.544189   2.685533   2.646364   3.549967   2.898157
    22  H    3.896164   4.010530   3.439088   4.098882   3.034912
    23  H    3.886191   3.374042   3.973851   5.054136   3.579554
    24  H    4.761373   4.247107   4.224779   5.301645   2.762034
    25  H    4.948704   4.217654   4.689808   5.857738   3.511709
    26  H    4.920180   4.713233   4.212010   5.021070   2.932835
                    6          7          8          9         10
     6  C    0.000000
     7  C    1.567341   0.000000
     8  C    2.156272   1.549870   0.000000
     9  H    3.907457   3.504600   3.808307   0.000000
    10  H    3.501568   2.164520   2.869652   2.595349   0.000000
    11  H    2.909133   2.174146   3.459506   2.599125   1.748499
    12  H    4.564928   4.816274   4.496333   2.458485   4.701666
    13  H    4.301270   4.648111   3.809767   3.534092   5.030691
    14  H    3.838144   4.635582   4.277487   3.518043   5.290440
    15  H    2.294147   3.117109   2.291711   4.278210   4.607035
    16  C    1.521194   2.660878   3.564190   3.934077   4.086247
    17  C    1.528608   2.568107   2.863304   5.424551   4.720490
    18  H    2.282730   1.091691   2.281898   4.382035   2.502456
    19  H    2.611293   2.213100   1.086492   4.894307   3.753711
    20  H    3.135690   2.265306   1.089278   3.622555   2.688776
    21  H    2.186680   2.920008   3.830899   3.107310   3.760052
    22  H    2.159121   3.577305   4.202131   4.626907   5.098644
    23  H    2.157576   2.992340   4.181367   4.613510   4.365391
    24  H    2.199731   2.758158   2.608422   5.843906   4.878553
    25  H    2.164305   2.927623   3.613883   5.954377   4.989039
    26  H    2.165437   3.507028   3.616224   5.924788   5.609753
                   11         12         13         14         15
    11  H    0.000000
    12  H    4.671037   0.000000
    13  H    5.283572   1.772237   0.000000
    14  H    4.946596   1.771564   1.754620   0.000000
    15  H    4.587825   3.741209   2.673106   2.711564   0.000000
    16  C    2.853067   4.600633   4.803817   3.807324   3.264521
    17  C    4.210720   5.882872   5.319110   4.882959   2.799433
    18  H    2.534664   5.887776   5.717722   5.706497   4.026891
    19  H    4.334220   5.427151   4.503311   5.008015   2.586456
    20  H    3.756627   4.357774   3.675802   4.519364   2.921114
    21  H    2.411440   3.927076   4.503400   3.447627   3.603068
    22  H    3.911568   4.771228   4.865990   3.621091   3.281243
    23  H    2.939098   5.594667   5.869952   4.885783   4.219048
    24  H    4.742901   6.264383   5.452672   5.345081   2.869573
    25  H    4.291639   6.698232   6.303267   5.763905   3.865694
    26  H    4.983703   5.987924   5.345021   4.711320   2.798280
                   16         17         18         19         20
    16  C    0.000000
    17  C    2.472994   0.000000
    18  H    3.252189   2.782880   0.000000
    19  H    4.128866   2.702848   2.562438   0.000000
    20  H    4.417048   3.952549   2.930225   1.777037   0.000000
    21  H    1.087231   3.448844   3.640176   4.611132   4.475736
    22  H    1.093337   2.685285   4.194494   4.652422   5.090749
    23  H    1.093338   2.717527   3.232933   4.641432   5.064004
    24  H    3.452218   1.088710   2.851782   2.050972   3.639838
    25  H    2.703051   1.093066   2.780490   3.440914   4.679382
    26  H    2.706382   1.092899   3.849681   3.446476   4.678146
                   21         22         23         24         25
    21  H    0.000000
    22  H    1.761903   0.000000
    23  H    1.766683   1.761555   0.000000
    24  H    4.336050   3.706149   3.728985   0.000000
    25  H    3.725951   3.007782   2.487319   1.760939   0.000000
    26  H    3.709940   2.455880   3.062700   1.761424   1.763430
                   26
    26  H    0.000000
 Stoichiometry    C10H16
 Framework group  C1[X(C10H16)]
 Deg. of freedom    72
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 3.93D-17
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        1.503651    0.908216    0.507488
      2          6           0        0.290384    1.804712    0.536372
      3          6           0        1.436486   -0.280373   -0.092333
      4          6           0        2.556356   -1.268228   -0.145852
      5          6           0        0.123938   -0.632595   -0.761632
      6          6           0       -1.078310   -0.328744    0.207184
      7          6           0       -0.867453    1.159910   -0.235542
      8          6           0       -0.320490    0.612788   -1.578519
      9          1           0        2.411320    1.240625    0.999510
     10          1           0        0.526867    2.781351    0.099045
     11          1           0       -0.005727    2.005386    1.572636
     12          1           0        3.449206   -0.892879    0.355226
     13          1           0        2.817419   -1.510836   -1.180937
     14          1           0        2.264835   -2.210108    0.330473
     15          1           0        0.146974   -1.606808   -1.251700
     16          6           0       -0.951378   -0.684230    1.680802
     17          6           0       -2.395364   -0.902700   -0.314912
     18          1           0       -1.749053    1.803451   -0.256178
     19          1           0       -1.103985    0.399461   -2.300386
     20          1           0        0.473946    1.180887   -2.060869
     21          1           0       -0.016390   -0.343402    2.118644
     22          1           0       -1.008073   -1.767780    1.815303
     23          1           0       -1.775477   -0.242117    2.247181
     24          1           0       -2.569985   -0.690863   -1.368440
     25          1           0       -3.236117   -0.490937    0.249338
     26          1           0       -2.412689   -1.987970   -0.187175
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           1.9468256           1.2329030           1.1311138
 Leave Link  202 at Thu Jul 22 18:03:50 2021, MaxMem=  5637144576 cpu:               0.1 elap:               0.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:       9     10     11     12     13     14     15     18     19     20
 Centers:      21     22     23     24     25     26
 S 3 1.00
     Exponent=  3.4061341000D+01 Coefficients=  6.0251978000D-03
     Exponent=  5.1235746000D+00 Coefficients=  4.5021094000D-02
     Exponent=  1.1646626000D+00 Coefficients=  2.0189726000D-01
 S 1 1.00
     Exponent=  3.2723041000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.0307241000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.0000000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  9.5774129632D-02 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7      8     16     17
 S 6 1.00
     Exponent=  1.3575349682D+04 Coefficients=  2.2245814352D-04
     Exponent=  2.0352333680D+03 Coefficients=  1.7232738252D-03
     Exponent=  4.6322562359D+02 Coefficients=  8.9255715314D-03
     Exponent=  1.3120019598D+02 Coefficients=  3.5727984502D-02
     Exponent=  4.2853015891D+01 Coefficients=  1.1076259931D-01
     Exponent=  1.5584185766D+01 Coefficients=  2.4295627626D-01
 S 2 1.00
     Exponent=  6.2067138508D+00 Coefficients=  4.1440263448D-01
     Exponent=  2.5764896527D+00 Coefficients=  2.3744968655D-01
 S 1 1.00
     Exponent=  5.7696339419D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.2972831358D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.5164440028D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.8475401370D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  3.4697232244D+01 Coefficients=  5.3333657805D-03
     Exponent=  7.9582622826D+00 Coefficients=  3.5864109092D-02
     Exponent=  2.3780826883D+00 Coefficients=  1.4215873329D-01
     Exponent=  8.1433208183D-01 Coefficients=  3.4270471845D-01
 P 1 1.00
     Exponent=  2.8887547253D-01 Coefficients=  4.6445822433D-01
 P 1 1.00
     Exponent=  1.0056823671D-01 Coefficients=  2.4955789874D-01
 D 1 1.00
     Exponent=  1.0970000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.1800000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  9.0985336424D-02 Coefficients=  1.0000000000D+00
 F 1 1.00
     Exponent=  7.6100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 There are   574 symmetry adapted cartesian basis functions of A   symmetry.
 There are   514 symmetry adapted basis functions of A   symmetry.
   514 basis functions,   756 primitive gaussians,   574 cartesian basis functions
    38 alpha electrons       38 beta electrons
       nuclear repulsion energy       568.6660221298 Hartrees.
 IExCor=  402 DFT=T Ex+Corr=B3LYP ExCW=0 ScaHFX=  0.200000
 ScaDFX=  0.800000  0.720000  1.000000  0.810000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=141
 NAtoms=   26 NActive=   26 NUniq=   26 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=F Big=F
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 R6Disp:  Grimme-D3(BJ) Dispersion energy=       -0.0486018588 Hartrees.
 Nuclear repulsion after empirical dispersion term =      568.6174202710 Hartrees.
 Leave Link  301 at Thu Jul 22 18:03:50 2021, MaxMem=  5637144576 cpu:               5.5 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=   514 RedAO= T EigKep=  1.26D-06  NBF=   514
 NBsUse=   512 1.00D-06 EigRej=  9.55D-07 NBFU=   512
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 0.00D+00.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=   573   573   573   573   573 MxSgAt=    26 MxSgA2=    26.
 Leave Link  302 at Thu Jul 22 18:03:51 2021, MaxMem=  5637144576 cpu:               4.6 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Jul 22 18:03:51 2021, MaxMem=  5637144576 cpu:               0.8 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "05_alphapinene_STD_B3LYPDBJ-def2TZVPDr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Leave Link  401 at Thu Jul 22 18:03:52 2021, MaxMem=  5637144576 cpu:               5.4 elap:               0.7
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 Closed shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot=  5637144576 LenX=  5636475886 LenY=  5636145836
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf= 970000000 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=         0 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 E= -390.848647930908    
 DIIS: error= 1.63D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -390.848647930908     IErMin= 1 ErrMin= 1.63D-03
 ErrMax= 1.63D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.55D-03 BMatP= 2.55D-03
 IDIUse=3 WtCom= 9.84D-01 WtEn= 1.63D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.242 Goal=   None    Shift=    0.000
 GapD=    0.242 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=9.10D-03 MaxDP=7.80D-01              OVMax= 7.46D-03

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  9.09D-03    CP:  1.09D+00
 E= -390.849676148364     Delta-E=       -0.001028217456 Rises=F Damp=F
 DIIS: error= 2.63D-05 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -390.849676148364     IErMin= 2 ErrMin= 2.63D-05
 ErrMax= 2.63D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.77D-07 BMatP= 2.55D-03
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.773D-02 0.101D+01
 Coeff:     -0.773D-02 0.101D+01
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=3.91D-04 MaxDP=3.21D-02 DE=-1.03D-03 OVMax= 5.07D-04

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.89D-04    CP:  1.09D+00  1.04D+00
 E= -390.849677440568     Delta-E=       -0.000001292203 Rises=F Damp=F
 DIIS: error= 2.81D-05 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -390.849677440568     IErMin= 2 ErrMin= 2.63D-05
 ErrMax= 2.81D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.81D-07 BMatP= 8.77D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.327D-02 0.398D+00 0.606D+00
 Coeff:     -0.327D-02 0.398D+00 0.606D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=1.31D-05 MaxDP=7.15D-04 DE=-1.29D-06 OVMax= 2.13D-04

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  6.75D-06    CP:  1.09D+00  1.04D+00  1.04D+00
 E= -390.849677735952     Delta-E=       -0.000000295384 Rises=F Damp=F
 DIIS: error= 1.52D-05 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -390.849677735952     IErMin= 4 ErrMin= 1.52D-05
 ErrMax= 1.52D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.05D-07 BMatP= 3.81D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.171D-03 0.831D-02 0.341D+00 0.651D+00
 Coeff:     -0.171D-03 0.831D-02 0.341D+00 0.651D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=5.71D-06 MaxDP=4.08D-04 DE=-2.95D-07 OVMax= 8.90D-05

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  2.27D-06    CP:  1.09D+00  1.04D+00  1.06D+00  8.80D-01
 E= -390.849677836152     Delta-E=       -0.000000100200 Rises=F Damp=F
 DIIS: error= 2.51D-06 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -390.849677836152     IErMin= 5 ErrMin= 2.51D-06
 ErrMax= 2.51D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 7.27D-09 BMatP= 1.05D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.306D-04-0.109D-01 0.170D+00 0.364D+00 0.477D+00
 Coeff:      0.306D-04-0.109D-01 0.170D+00 0.364D+00 0.477D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=5.76D-07 MaxDP=2.77D-05 DE=-1.00D-07 OVMax= 4.45D-05

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  4.47D-07    CP:  1.09D+00  1.04D+00  1.06D+00  8.94D-01  1.02D+00
 E= -390.849677842620     Delta-E=       -0.000000006467 Rises=F Damp=F
 DIIS: error= 8.20D-07 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -390.849677842620     IErMin= 6 ErrMin= 8.20D-07
 ErrMax= 8.20D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.67D-10 BMatP= 7.27D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.327D-04-0.683D-02 0.631D-01 0.142D+00 0.269D+00 0.533D+00
 Coeff:      0.327D-04-0.683D-02 0.631D-01 0.142D+00 0.269D+00 0.533D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=1.69D-07 MaxDP=1.30D-05 DE=-6.47D-09 OVMax= 1.42D-05

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  1.37D-07    CP:  1.09D+00  1.04D+00  1.06D+00  8.97D-01  1.04D+00
                    CP:  8.86D-01
 E= -390.849677843085     Delta-E=       -0.000000000465 Rises=F Damp=F
 DIIS: error= 2.49D-07 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -390.849677843085     IErMin= 7 ErrMin= 2.49D-07
 ErrMax= 2.49D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.06D-11 BMatP= 5.67D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.171D-04-0.314D-02 0.221D-01 0.514D-01 0.117D+00 0.314D+00
 Coeff-Com:  0.499D+00
 Coeff:      0.171D-04-0.314D-02 0.221D-01 0.514D-01 0.117D+00 0.314D+00
 Coeff:      0.499D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=5.14D-08 MaxDP=3.30D-06 DE=-4.65D-10 OVMax= 3.19D-06

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  4.23D-08    CP:  1.09D+00  1.04D+00  1.06D+00  8.99D-01  1.04D+00
                    CP:  9.15D-01  9.71D-01
 E= -390.849677843152     Delta-E=       -0.000000000067 Rises=F Damp=F
 DIIS: error= 3.36D-08 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -390.849677843152     IErMin= 8 ErrMin= 3.36D-08
 ErrMax= 3.36D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.34D-12 BMatP= 6.06D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.238D-05-0.376D-03 0.146D-02 0.382D-02 0.140D-01 0.524D-01
 Coeff-Com:  0.170D+00 0.759D+00
 Coeff:      0.238D-05-0.376D-03 0.146D-02 0.382D-02 0.140D-01 0.524D-01
 Coeff:      0.170D+00 0.759D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=1.62D-08 MaxDP=8.58D-07 DE=-6.72D-11 OVMax= 3.53D-07

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  1.18D-08    CP:  1.09D+00  1.04D+00  1.06D+00  9.00D-01  1.04D+00
                    CP:  9.22D-01  9.93D-01  9.98D-01
 E= -390.849677843152     Delta-E=        0.000000000000 Rises=F Damp=F
 DIIS: error= 1.74D-08 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 8 EnMin= -390.849677843152     IErMin= 9 ErrMin= 1.74D-08
 ErrMax= 1.74D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.41D-13 BMatP= 1.34D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.313D-06-0.248D-04-0.405D-03-0.780D-03 0.103D-02 0.983D-02
 Coeff-Com:  0.605D-01 0.399D+00 0.530D+00
 Coeff:      0.313D-06-0.248D-04-0.405D-03-0.780D-03 0.103D-02 0.983D-02
 Coeff:      0.605D-01 0.399D+00 0.530D+00
 Gap=     0.229 Goal=   None    Shift=    0.000
 RMSDP=4.48D-09 MaxDP=2.19D-07 DE= 2.27D-13 OVMax= 1.01D-07

 SCF Done:  E(RB3LYP) =  -390.849677843     A.U. after    9 cycles
            NFock=  9  Conv=0.45D-08     -V/T= 2.0057
 KE= 3.886503239587D+02 PE=-2.042225629684D+03 EE= 6.941082076109D+02
 Leave Link  502 at Thu Jul 22 18:08:38 2021, MaxMem=  5637144576 cpu:            2276.5 elap:             285.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1   512
 NBasis=   514 NAE=    38 NBE=    38 NFC=     0 NFV=     0
 NROrb=    512 NOA=    38 NOB=    38 NVA=   474 NVB=   474

 **** Warning!!: The largest alpha MO coefficient is  0.14586859D+03

 Leave Link  801 at Thu Jul 22 18:08:38 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  Closed shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
         7875 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=    5637144576 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=     384.
          Doing perturbations at frequencies    0.093368
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=           0
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          26
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=F KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 3.00D-13 8.33D-09 XBig12= 1.00D+00 4.76D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 3.00D-13 8.33D-09 XBig12= 3.77D-01 1.32D-01.
     11 vectors produced by pass  2 Test12= 3.00D-13 8.33D-09 XBig12= 7.41D-02 5.57D-02.
     11 vectors produced by pass  3 Test12= 3.00D-13 8.33D-09 XBig12= 2.58D-03 7.85D-03.
     11 vectors produced by pass  4 Test12= 3.00D-13 8.33D-09 XBig12= 3.05D-04 2.22D-03.
     11 vectors produced by pass  5 Test12= 3.00D-13 8.33D-09 XBig12= 3.32D-05 8.10D-04.
     11 vectors produced by pass  6 Test12= 3.00D-13 8.33D-09 XBig12= 8.15D-07 1.28D-04.
     11 vectors produced by pass  7 Test12= 3.00D-13 8.33D-09 XBig12= 1.70D-08 1.93D-05.
     11 vectors produced by pass  8 Test12= 3.00D-13 8.33D-09 XBig12= 2.60D-10 2.51D-06.
      8 vectors produced by pass  9 Test12= 3.00D-13 8.33D-09 XBig12= 2.88D-12 2.23D-07.
      2 vectors produced by pass 10 Test12= 3.00D-13 8.33D-09 XBig12= 3.67D-14 1.77D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 3.55D-14
 Solved reduced A of dimension   109 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.093368:
                1             2             3 
      1  0.125728D+03
      2 -0.624060D+00  0.122050D+03
      3  0.465163D+00  0.482918D+01  0.109147D+03
 Isotropic polarizability for W=    0.093368      118.98 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.093368:
                 1             2             3 
      1   0.129516D+02 -0.407826D+02  0.923393D+00
      2   0.528331D+01  0.208519D+02  0.812041D+01
      3  -0.182349D+02  0.199307D+02 -0.904380D+01
      4  -0.409997D+02  0.368984D+02  0.275786D+02
      5   0.139328D+02  0.248701D+02 -0.203545D+02
      6   0.103345D+02  0.187098D+02  0.796540D+00
 Dipole-magnetic dipole polarizability for W=    0.093368:
                 1             2             3 
      1  -0.260116D+00  0.290998D+01  0.525882D+01
      2   0.456348D+01  0.162939D+02 -0.357952D+01
      3   0.854066D+01 -0.245482D+02 -0.154815D+02
 DQ contribution to OR G for W=    0.093368:
                 1             2             3 
      1  -0.270856D+01  0.105894D+02  0.191342D+02
      2  -0.130094D+02  0.172441D+02 -0.211960D+01
      3  -0.217157D+00 -0.316151D+02 -0.145356D+02
 Optical Rotation G' tensor for W=    0.093368:
                 1             2             3 
      1  -0.270955D+00 -0.217086D+01 -0.108524D+01
      2  -0.217086D+01 -0.355979D+01  0.281508D+01
      3  -0.108524D+01  0.281508D+01  0.438300D+01
 OR G Eigenvalues:    -5.1180    -0.1074     5.7776  Iso=    -0.1841
 Eigenvectors:
   (1)   0.354988   0.906622  -0.228078
   (2)   0.891338  -0.254649   0.375061
   (3)  -0.281959   0.336437   0.898504
 w=    0.093368 a.u., Optical Rotation Beta=     -0.1841 au.
 Molar Mass =    136.2364 grams/mole, [Alpha] ( 4880.0 A) =      -76.16 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 0 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  132355 ScalPx= 6.20D+01
 PxSclF for G(T1ab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  132355 IRwP= 19996     0 IPTmp= 19977     0 ScalPx= 4.52D+03
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 5.00D-14 2.78D-09 XBig12= 1.00D+00 4.04D-01.
     30 vectors produced by pass  1 Test12= 5.00D-14 2.78D-09 XBig12= 4.25D-02 2.70D-02.
     30 vectors produced by pass  2 Test12= 5.00D-14 2.78D-09 XBig12= 1.59D-03 7.14D-03.
     30 vectors produced by pass  3 Test12= 5.00D-14 2.78D-09 XBig12= 1.71D-05 5.44D-04.
     30 vectors produced by pass  4 Test12= 5.00D-14 2.78D-09 XBig12= 1.59D-07 5.46D-05.
     30 vectors produced by pass  5 Test12= 5.00D-14 2.78D-09 XBig12= 9.07D-10 3.71D-06.
     30 vectors produced by pass  6 Test12= 5.00D-14 2.78D-09 XBig12= 3.37D-12 2.32D-07.
     11 vectors produced by pass  7 Test12= 5.00D-14 2.78D-09 XBig12= 1.05D-14 1.06D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.11D-15
 Solved reduced A of dimension   221 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  132355 ScalPx= 3.54D+03
 PxScal for FxTab-XC:  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  132355 ScalPx= 3.54D+03
 PxSclF for G(Xab):  IOpCl= 0 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  132355 IRwP= 19978     0 IPTmp= 19973     0 ScalPx= 2.47D+03
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.125728D+03 -0.624060D+00  0.465163D+00
      2  -0.624060D+00  0.122050D+03  0.482918D+01
      3   0.465163D+00  0.482918D+01  0.109147D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.260116D+00  0.290998D+01  0.525882D+01
      2   0.456348D+01  0.162939D+02 -0.357952D+01
      3   0.854066D+01 -0.245482D+02 -0.154815D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.129516D+02 -0.407826D+02  0.923393D+00
      2   0.528331D+01  0.208519D+02  0.812041D+01
      3  -0.182349D+02  0.199307D+02 -0.904380D+01
      4  -0.409997D+02  0.368984D+02  0.275786D+02
      5   0.139328D+02  0.248701D+02 -0.203545D+02
      6   0.103345D+02  0.187098D+02  0.796540D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.363454D+01  0.222612D+00 -0.178165D+01  0.255954D+01 -0.920267D+00
      2   0.222612D+00 -0.801348D+00 -0.263973D+01 -0.920267D+00  0.167264D+02
      3  -0.178165D+01 -0.263973D+01 -0.215539D+01 -0.221870D+01  0.333085D+01
                 6             7             8             9            10 
      1  -0.221870D+01 -0.123990D+01 -0.327142D+01 -0.184410D+01  0.820898D+00
      2   0.333085D+01 -0.327142D+01  0.250394D+01  0.371710D+01  0.556777D+00
      3   0.327791D+01 -0.184410D+01  0.371710D+01  0.558517D+01  0.376273D+00
                11            12            13            14            15 
      1   0.556777D+00  0.376273D+00  0.155070D+01  0.376036D+00  0.221391D+01
      2   0.106744D+01  0.344771D+01  0.376036D+00 -0.121124D+02  0.336260D+00
      3   0.344771D+01  0.288911D+01  0.221391D+01  0.336260D+00 -0.131510D+01
                16            17            18            19            20 
      1   0.120380D+01  0.326611D+01  0.293824D+01  0.240351D+01 -0.269661D+01
      2   0.326611D+01  0.232696D+01 -0.404899D+01 -0.269661D+01  0.140985D+01
      3   0.293824D+01 -0.404899D+01 -0.590954D+01 -0.540031D+00  0.116308D+01
                21            22            23            24            25 
      1  -0.540031D+00 -0.298696D+01  0.157578D+01  0.148557D+01 -0.127381D+01
      2   0.116308D+01  0.157578D+01 -0.167225D+02 -0.445891D+01  0.670859D+00
      3   0.772000D+00  0.148557D+01 -0.445891D+01 -0.443129D+01  0.159104D+01
                26            27            28            29            30 
      1   0.670859D+00  0.159104D+01 -0.517275D+01 -0.373674D+00 -0.118281D+01
      2  -0.474354D+01 -0.394740D+01 -0.373674D+00 -0.607248D+00 -0.283626D+01
      3  -0.394740D+01 -0.457137D+01 -0.118281D+01 -0.283626D+01 -0.266207D+01
                31            32            33            34            35 
      1  -0.232236D+01 -0.293215D+01 -0.283109D+01 -0.141361D+01 -0.294228D+01
      2  -0.293215D+01  0.105213D+02 -0.196874D+00 -0.294228D+01 -0.649308D+00
      3  -0.283109D+01 -0.196874D+00  0.174858D+01 -0.460582D+01  0.414759D+01
                36            37            38            39            40 
      1  -0.460582D+01  0.512576D+01  0.186398D+01 -0.284549D+01 -0.242337D+01
      2   0.414759D+01  0.186398D+01  0.106872D+01 -0.105710D+01 -0.122396D+00
      3   0.489365D+01 -0.284549D+01 -0.105710D+01  0.400352D+01 -0.204097D+01
                41            42            43            44            45 
      1  -0.122396D+00 -0.204097D+01 -0.662956D+01 -0.117576D+01  0.257694D+01
      2   0.439320D+01  0.426758D+01 -0.117576D+01  0.353864D+01  0.334239D+00
      3   0.426758D+01 -0.193365D+01  0.257694D+01  0.334239D+00  0.451357D+00
                46            47            48            49            50 
      1  -0.422863D+01  0.160261D+01  0.539442D+01  0.380908D+01 -0.172796D+01
      2   0.160261D+01 -0.167860D+01  0.694477D+00 -0.172796D+01 -0.852418D+01
      3   0.539442D+01  0.694477D+00 -0.198222D+01  0.129351D+01  0.166191D+01
                51            52            53            54            55 
      1   0.129351D+01  0.865662D+01  0.108468D+01 -0.154686D+01  0.304882D+01
      2   0.166191D+01  0.108468D+01  0.287356D+01  0.177605D+01 -0.429166D+01
      3   0.118631D+01 -0.154686D+01  0.177605D+01 -0.298512D+01 -0.154485D+01
                56            57            58            59            60 
      1  -0.429166D+01 -0.154485D+01 -0.373704D+01  0.512969D+01 -0.190443D+01
      2   0.473197D+01 -0.149319D+01  0.512969D+01  0.381011D+01 -0.276162D+01
      3  -0.149319D+01 -0.167941D+01 -0.190443D+01 -0.276162D+01  0.346742D+01
                61            62            63            64            65 
      1  -0.182931D+01 -0.190452D+01 -0.172928D+01  0.418623D+00 -0.108325D+01
      2  -0.190452D+01 -0.356200D+01  0.160302D+01 -0.108325D+01 -0.249056D+01
      3  -0.172928D+01  0.160302D+01  0.354519D+01  0.385182D+01  0.410781D+01
                66            67            68            69            70 
      1   0.385182D+01  0.756415D+00 -0.202480D+01  0.482989D+01  0.310438D+01
      2   0.410781D+01 -0.202480D+01  0.132320D+01 -0.101249D+01  0.307528D+01
      3   0.782000D+00  0.482989D+01 -0.101249D+01 -0.890543D+00  0.114536D+01
                71            72            73            74            75 
      1   0.307528D+01  0.114536D+01  0.811437D+01  0.269907D+01  0.347859D+01
      2  -0.859675D+00 -0.157007D+01  0.269907D+01  0.126653D+01  0.139088D+01
      3  -0.157007D+01 -0.462631D+00  0.347859D+01  0.139088D+01  0.230481D+01
                76            77            78            79            80 
      1   0.203222D+01  0.141795D+01  0.990507D+00  0.345749D+01  0.172416D+01
      2   0.141795D+01  0.210743D+01  0.154204D+01  0.172416D+01  0.202758D+01
      3   0.990507D+00  0.154204D+01  0.133090D+01  0.235523D+01  0.898169D+00
                81            82            83            84            85 
      1   0.235523D+01  0.927051D+00  0.142833D+01 -0.372959D+00  0.139182D+01
      2   0.898169D+00  0.142833D+01  0.217030D+01 -0.276928D+00  0.111619D+01
      3   0.139196D+01 -0.372959D+00 -0.276928D+00 -0.140291D+00 -0.305461D+00
                86            87            88            89            90 
      1   0.111619D+01 -0.305461D+00 -0.798964D+00 -0.768053D+00 -0.130633D+00
      2   0.140155D+02 -0.882699D+00 -0.768053D+00 -0.387869D+01  0.218437D+01
      3  -0.882699D+00  0.930406D+00 -0.130633D+00  0.218437D+01 -0.364832D-01
                91            92            93            94            95 
      1  -0.126575D+01  0.754509D+00  0.144461D+01  0.189733D+00 -0.762511D+00
      2   0.754509D+00 -0.838724D+00 -0.126535D+01 -0.762511D+00  0.373364D+01
      3   0.144461D+01 -0.126535D+01 -0.188791D+01 -0.558438D+00  0.214482D+01
                96            97            98            99           100 
      1  -0.558438D+00  0.164520D+01 -0.156367D+01 -0.182307D+01  0.915719D+01
      2   0.214482D+01 -0.156367D+01  0.375866D+01  0.461641D+01 -0.130519D+00
      3   0.177082D+01 -0.182307D+01  0.461641D+01  0.842664D+01  0.218345D+01
               101           102           103           104           105 
      1  -0.130519D+00  0.218345D+01  0.314531D+01  0.613458D+00  0.689503D+00
      2   0.831312D+00  0.103493D+00  0.613458D+00  0.319787D+00  0.474513D+00
      3   0.103493D+00  0.159696D+01  0.689503D+00  0.474513D+00  0.474394D+00
               106           107           108           109           110 
      1   0.393942D+01 -0.200165D+00  0.226712D+01  0.245812D+01 -0.990203D+00
      2  -0.200165D+00  0.798734D+00 -0.218854D+00 -0.990203D+00  0.397296D+00
      3   0.226712D+01 -0.218854D+00  0.117253D+01 -0.169158D+01  0.100404D+01
               111           112           113           114           115 
      1  -0.169158D+01 -0.869613D+00  0.187175D+01  0.110299D+01 -0.380807D+01
      2   0.100404D+01  0.187175D+01 -0.337375D+01 -0.163661D+01  0.312390D+01
      3   0.176704D+01  0.110299D+01 -0.163661D+01 -0.166471D+01  0.377661D+01
               116           117           118           119           120 
      1   0.312390D+01  0.377661D+01 -0.333185D+00 -0.430318D+00  0.512512D+00
      2  -0.337530D+01 -0.381236D+01 -0.430318D+00 -0.203550D+01  0.445604D+00
      3  -0.381236D+01 -0.749150D+01  0.512512D+00  0.445604D+00 -0.105542D+00
               121           122           123           124           125 
      1  -0.203852D+01  0.211672D+01  0.315713D+00  0.958648D+00 -0.192316D+00
      2   0.211672D+01 -0.108332D+02  0.180939D+01 -0.192316D+00  0.328236D+01
      3   0.315713D+00  0.180939D+01 -0.142138D+01  0.775207D+00 -0.240714D+01
               126           127           128           129           130 
      1   0.775207D+00  0.353338D+00 -0.995991D+00 -0.593866D-01 -0.160598D+01
      2  -0.240714D+01 -0.995991D+00 -0.438445D+00  0.918445D-01  0.790706D+00
      3   0.575633D+00 -0.593866D-01  0.918445D-01 -0.218485D+00  0.420513D+00
               131           132           133           134           135 
      1   0.790706D+00  0.420513D+00  0.281219D-01  0.514033D+00  0.102872D+00
      2  -0.784765D+01 -0.341820D+01  0.514033D+00 -0.287171D+01 -0.222245D+01
      3  -0.341820D+01 -0.220110D+01  0.102872D+00 -0.222245D+01 -0.225830D+01
               136           137           138           139           140 
      1  -0.650167D+00 -0.240454D+01 -0.470817D+01 -0.331714D+01  0.974914D+00
      2  -0.240454D+01  0.547822D+00  0.171193D+00  0.974914D+00  0.676558D+01
      3  -0.470817D+01  0.171193D+00  0.137120D+01  0.313119D+00 -0.280729D+01
               141           142           143           144           145 
      1   0.313119D+00 -0.477526D+01  0.141704D+00  0.156837D+01  0.194237D+01
      2  -0.280729D+01  0.141704D+00 -0.147699D+01 -0.195949D+01 -0.296968D+01
      3  -0.200950D+01  0.156837D+01 -0.195949D+01  0.216916D+01 -0.412188D+01
               146           147           148           149           150 
      1  -0.296968D+01 -0.412188D+01 -0.474262D+01  0.175659D+01 -0.390131D+00
      2   0.119532D+00 -0.299572D+00  0.175659D+01  0.764227D+01 -0.985619D+00
      3  -0.299572D+00  0.136461D+01 -0.390131D+00 -0.985619D+00 -0.202568D+01
               151           152           153           154           155 
      1  -0.547466D+01 -0.252179D+00  0.226760D+01 -0.703074D+01  0.459542D+01
      2  -0.252179D+00 -0.138222D+01 -0.154931D+01  0.459542D+01 -0.426625D+01
      3   0.226760D+01 -0.154931D+01  0.469011D+01  0.778529D-01  0.285514D+00
               156           157           158           159           160 
      1   0.778529D-01  0.332744D+01 -0.359093D+01  0.415950D+00  0.317191D+00
      2   0.285514D+00 -0.359093D+01  0.435448D+01  0.616465D-01  0.305836D+00
      3  -0.661799D+00  0.415950D+00  0.616465D-01  0.368501D+00 -0.954817D+00
               161           162           163           164           165 
      1   0.305836D+00 -0.954817D+00 -0.412906D+01 -0.353283D+00 -0.339076D+01
      2   0.250258D+00  0.931627D+00 -0.353283D+00 -0.547829D+00 -0.175484D+00
      3   0.931627D+00 -0.219382D+00 -0.339076D+01 -0.175484D+00 -0.426848D+01
               166           167           168           169           170 
      1  -0.932862D+00 -0.656724D+00 -0.695986D+00 -0.272797D+01 -0.243401D+00
      2  -0.656724D+00 -0.439080D+00 -0.714829D+00 -0.243401D+00 -0.490251D+00
      3  -0.695986D+00 -0.714829D+00 -0.684251D+00 -0.350204D+01 -0.413093D-01
               171           172           173           174           175 
      1  -0.350204D+01  0.318555D+01  0.166820D+01 -0.281986D+01  0.120163D+01
      2  -0.413093D-01  0.166820D+01  0.194704D+01 -0.218844D+01  0.147708D+01
      3  -0.647371D+01 -0.281986D+01 -0.218844D+01  0.351779D+01 -0.167424D+01
               176           177           178           179           180 
      1   0.147708D+01 -0.167424D+01 -0.135492D+01 -0.942121D+00  0.156515D+01
      2   0.242974D+01 -0.204511D+01 -0.942121D+00 -0.110292D+01  0.180975D+01
      3  -0.204511D+01  0.263697D+01  0.156515D+01  0.180975D+01 -0.417929D+01
               181           182           183           184           185 
      1   0.463847D+01  0.103165D+01  0.151858D+01  0.158975D+01  0.595797D+00
      2   0.103165D+01  0.920964D+00 -0.248530D+00  0.595797D+00 -0.136724D+00
      3   0.151858D+01 -0.248530D+00  0.308866D+01 -0.136503D-01  0.594312D+00
               186           187           188           189           190 
      1  -0.136503D-01  0.180384D+01  0.955608D-01  0.162578D+01 -0.397602D+00
      2   0.594312D+00  0.955608D-01  0.606290D+00  0.546988D+00 -0.857643D+00
      3   0.131909D+01  0.162578D+01  0.546988D+00  0.222489D+01  0.948545D+00
               191           192           193           194           195 
      1  -0.857643D+00  0.948545D+00 -0.105677D+01 -0.112249D+01  0.437695D+00
      2  -0.426519D+00  0.158385D+00 -0.112249D+01 -0.852539D+01  0.345009D+01
      3   0.158385D+00 -0.499303D+00  0.437695D+00  0.345009D+01 -0.273242D+01
               196           197           198           199           200 
      1   0.382499D+00  0.751063D-01 -0.341650D+00 -0.479365D+01  0.843507D+00
      2   0.751063D-01  0.104881D+01 -0.122116D+01  0.843507D+00 -0.105727D+01
      3  -0.341650D+00 -0.122116D+01  0.102674D+01  0.380253D+01 -0.353026D+00
               201           202           203           204           205 
      1   0.380253D+01  0.197939D+01 -0.104942D+01 -0.131532D+01  0.247763D+01
      2  -0.353026D+00 -0.104942D+01  0.234913D+00  0.121992D+01 -0.450904D+00
      3  -0.414898D+01 -0.131532D+01  0.121992D+01  0.209163D+01 -0.275806D+01
               206           207           208           209           210 
      1  -0.450904D+00 -0.275806D+01 -0.116548D+01  0.485090D+00 -0.115386D+01
      2   0.738774D+00  0.695142D+00  0.485090D+00 -0.613840D-01 -0.518338D-02
      3   0.695142D+00  0.402261D+01 -0.115386D+01 -0.518338D-02 -0.152430D+01
               211           212           213           214           215 
      1   0.115359D+01 -0.320745D+00  0.165062D+00 -0.237171D+01 -0.482695D+00
      2  -0.320745D+00 -0.322153D+00 -0.766021D+00 -0.482695D+00 -0.108730D+01
      3   0.165062D+00 -0.766021D+00  0.799681D+00 -0.252177D+01  0.277747D+00
               216           217           218           219           220 
      1  -0.252177D+01 -0.884925D+01  0.651275D+00  0.226093D+01  0.369554D+01
      2   0.277747D+00  0.651275D+00 -0.970484D+00 -0.279870D+00 -0.138146D+01
      3  -0.682435D+01  0.226093D+01 -0.279870D+00 -0.147946D+01 -0.618934D+00
               221           222           223           224           225 
      1  -0.138146D+01 -0.618934D+00  0.480853D+01 -0.383255D-01 -0.214954D+01
      2   0.874743D-01  0.549802D+00 -0.383255D-01  0.886167D+00  0.400039D+00
      3   0.549802D+00  0.879118D+00 -0.214954D+01  0.400039D+00  0.136491D+01
               226           227           228           229           230 
      1  -0.943261D+00 -0.825664D+00  0.363180D+00 -0.234893D+01 -0.320083D+01
      2  -0.825664D+00 -0.258639D+00  0.546226D-01 -0.320083D+01 -0.962803D+01
      3   0.363180D+00  0.546226D-01 -0.440532D-01 -0.106585D+00  0.243143D+00
               231           232           233           234 
      1  -0.106585D+00  0.914373D+00  0.350586D+00 -0.647905D+00
      2   0.243143D+00  0.350586D+00  0.839167D+00 -0.939717D+00
      3  -0.972116D+00 -0.647905D+00 -0.939717D+00 -0.128873D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.144168D+01  0.123264D+01  0.114556D+00  0.271075D+01  0.994839D+01
      2   0.211687D+01 -0.189859D+01 -0.217836D+01  0.658149D+00  0.978871D+01
      3  -0.287280D+01 -0.502731D+01  0.167935D+01  0.175115D+01 -0.458266D+02
                 6             7             8             9            10 
      1  -0.129346D+01  0.136254D+01  0.522369D+01  0.352667D+00 -0.687561D+00
      2   0.117542D+02 -0.944971D+01  0.145269D+02  0.164123D+02 -0.838175D+00
      3  -0.131894D+02  0.161439D+01 -0.106925D+02 -0.144420D+02  0.393919D+01
                11            12            13            14            15 
      1  -0.746616D+01 -0.407556D+01 -0.371897D+01 -0.179387D+02  0.207615D+00
      2   0.270886D+01  0.243557D+01  0.201740D+00 -0.509166D+01 -0.187394D+01
      3  -0.547100D+01 -0.348779D+01  0.415002D+01  0.960592D+01  0.644981D+01
                16            17            18            19            20 
      1  -0.621991D+01  0.182945D+02  0.144509D+02 -0.153629D+01 -0.212594D+01
      2  -0.634248D+00 -0.250109D+01 -0.534897D+01 -0.163111D+01  0.599030D+01
      3  -0.143663D+01  0.107363D+02  0.114732D+02  0.107116D+02 -0.712743D+01
                21            22            23            24            25 
      1  -0.298529D+00 -0.209384D+01 -0.125856D+02 -0.307921D+01 -0.276760D+01
      2   0.150067D+01  0.441124D+01 -0.114176D+02 -0.130718D+02 -0.598438D+01
      3  -0.440306D+01  0.287361D+01  0.450712D+02  0.146264D+02 -0.315064D+01
                26            27            28            29            30 
      1   0.482313D+01  0.255937D+01 -0.125232D+01 -0.615308D+01 -0.507885D+01
      2  -0.112088D+02 -0.174397D+02 -0.542345D+01 -0.933319D+01 -0.626077D+01
      3   0.148500D+02  0.116235D+02  0.115138D+02 -0.179731D+01  0.105580D+02
                31            32            33            34            35 
      1  -0.315895D+01 -0.688941D+01  0.252291D+01 -0.116311D+02  0.151500D+02
      2  -0.898729D+01 -0.246966D+01  0.419772D+01 -0.174446D+02  0.146392D+02
      3   0.153012D+02 -0.319724D+02  0.551006D+01  0.108696D+02  0.105195D+02
                36            37            38            39            40 
      1   0.101590D+02 -0.105656D+01  0.523481D+00  0.559036D+01 -0.476045D+01
      2   0.151569D+02  0.979307D+01  0.310913D+01  0.320814D+01 -0.352312D+01
      3  -0.442360D+01 -0.152018D+02 -0.805450D+01 -0.117462D+01  0.809860D+01
                41            42            43            44            45 
      1   0.130565D+01 -0.118546D+02  0.848060D+01 -0.518330D-01  0.542844D+01
      2   0.245365D+01 -0.550467D+01 -0.102822D+02 -0.443530D+01  0.490603D+01
      3   0.278196D+01  0.331802D+01  0.566752D+01 -0.234193D+00 -0.676407D+01
                46            47            48            49            50 
      1   0.478500D+01 -0.520878D+00 -0.241139D+01 -0.906285D+00 -0.165003D+01
      2  -0.147183D+02 -0.309266D+01  0.664263D+01  0.107464D+01 -0.172115D+01
      3   0.135228D+02 -0.568295D+01 -0.191271D+01 -0.324176D+01 -0.173506D+02
                51            52            53            54            55 
      1  -0.159486D+01 -0.286887D+01  0.748246D+01 -0.315480D+01  0.307272D+01
      2  -0.717952D+00  0.273694D+00 -0.381308D+01  0.739588D+01  0.291151D+01
      3   0.234440D+01 -0.840068D+01  0.277495D+01  0.553232D+01 -0.456140D+01
                56            57            58            59            60 
      1   0.255573D+01  0.675840D+01  0.312900D+01  0.435631D+01 -0.686533D+01
      2   0.177705D+01  0.433699D+01  0.174633D+01  0.296997D+01 -0.410875D+01
      3  -0.558637D+01 -0.376906D+01  0.389597D+01  0.130579D+02 -0.582322D+01
                61            62            63            64            65 
      1   0.467181D+01  0.293343D+00 -0.964413D+01 -0.289131D+01  0.298745D+01
      2  -0.213668D+01 -0.238476D+01 -0.521755D+01 -0.589025D+00 -0.432208D+01
      3  -0.550054D+01 -0.727349D+01 -0.143086D+01  0.266377D+01 -0.417765D+01
                66            67            68            69            70 
      1  -0.132942D+02  0.641881D+01 -0.205060D+01  0.813641D+01 -0.110975D+02
      2   0.107624D+02 -0.546167D+00 -0.465477D+01  0.151986D+02  0.333340D+01
      3   0.710516D+01 -0.223491D+01 -0.212993D+01 -0.151829D+01  0.520380D+01
                71            72            73            74            75 
      1   0.833513D+01  0.231129D+01 -0.222032D+01  0.301679D+00 -0.291867D+01
      2   0.946146D+01  0.484015D+01 -0.452464D+00  0.123091D+01  0.567224D+01
      3   0.315579D+00  0.112071D+01  0.553121D+01 -0.192932D+01  0.153059D+01
                76            77            78            79            80 
      1  -0.432635D+00 -0.637399D+00 -0.116474D+01 -0.174992D+01  0.265036D+01
      2  -0.117290D+00  0.299551D+01  0.286307D+01  0.475623D+00 -0.150823D+01
      3   0.132232D+01 -0.233348D+01 -0.159113D+01  0.148551D+01 -0.421167D+01
                81            82            83            84            85 
      1  -0.119372D+01  0.170510D+01  0.274980D+01 -0.384668D-03  0.412466D+00
      2   0.110920D+01 -0.802848D+00 -0.264619D+00  0.154280D+01 -0.130548D+01
      3   0.144621D+01  0.217319D+01  0.131476D+01 -0.701124D+00  0.728248D+01
                86            87            88            89            90 
      1   0.136413D+02 -0.617701D+01  0.678059D+00 -0.794008D+01  0.247865D+01
      2   0.175279D+01  0.682509D+00 -0.557388D+00  0.724290D+00  0.334760D+00
      3  -0.572886D+01 -0.458703D+00 -0.280251D+01 -0.335173D+00 -0.195705D+01
                91            92            93            94            95 
      1  -0.316423D+01  0.194421D+01  0.431255D+01  0.353236D+00 -0.485867D+00
      2   0.229521D+01 -0.128635D+01 -0.987338D+00 -0.825662D+00  0.246091D+01
      3  -0.466355D+01  0.612442D+00  0.427741D+01  0.235125D+01 -0.436877D+01
                96            97            98            99           100 
      1  -0.288217D+01  0.349427D+01 -0.479783D+01 -0.178626D+02  0.399110D+01
      2   0.769952D+00 -0.557818D+01  0.281697D+01  0.430231D+01  0.791571D+01
      3  -0.288371D+01  0.817331D+01 -0.690994D+01 -0.769360D+01 -0.132243D+02
               101           102           103           104           105 
      1   0.894908D+00  0.263355D+01  0.887703D+00  0.119105D+01 -0.110440D+00
      2   0.258215D+00  0.802405D+01  0.205798D+01  0.145930D+01  0.216546D+01
      3  -0.539670D+01 -0.403590D+01 -0.372820D+01 -0.275928D+01 -0.241813D+01
               106           107           108           109           110 
      1   0.290342D+01  0.681002D+00  0.136272D+01 -0.266084D+01  0.179297D+01
      2   0.534388D+01 -0.264760D-01  0.470697D+01 -0.340394D+01  0.263804D+01
      3  -0.543218D+01 -0.357986D+01 -0.223695D+01 -0.715503D+00 -0.193820D+01
               111           112           113           114           115 
      1   0.350788D+01  0.191448D+01 -0.997592D+00 -0.362199D+01  0.676967D+01
      2   0.554681D+01  0.282665D+01 -0.424342D+01 -0.490789D+01  0.720980D+01
      3  -0.130610D+01 -0.274154D+01  0.786169D+01  0.307947D+01 -0.224481D+01
               116           117           118           119           120 
      1  -0.485013D+01 -0.131369D+02  0.461337D+00  0.224784D+01 -0.444913D+00
      2  -0.968667D+01 -0.215394D+02  0.145221D+01  0.225589D+01  0.431825D+00
      3   0.570885D+01  0.550706D+01  0.223343D+01  0.605012D+01 -0.254699D+01
               121           122           123           124           125 
      1  -0.894928D+00  0.668426D+01 -0.557189D+01  0.164301D+01 -0.489239D+01
      2   0.126982D+01  0.510936D+01 -0.428794D+01  0.733936D+00 -0.599314D+01
      3  -0.605617D+00  0.305897D+02 -0.626733D+01 -0.197287D+01 -0.106364D+02
               126           127           128           129           130 
      1   0.193933D+01  0.129931D+01 -0.274662D+00 -0.202490D+00 -0.546447D+00
      2   0.204923D+01  0.973030D+00 -0.907637D+00  0.109833D+01 -0.295002D+01
      3   0.583714D+01 -0.606346D+00 -0.411847D+00 -0.295700D+00  0.594111D+01
               131           132           133           134           135 
      1   0.581567D+01 -0.248777D+01 -0.240108D+00  0.333215D+01 -0.899296D+00
      2   0.883593D+00  0.219219D+00 -0.236438D+01  0.615736D-01 -0.608614D+00
      3   0.312262D+00 -0.116903D+00  0.899410D+00  0.463033D+00  0.138316D+00
               136           137           138           139           140 
      1  -0.121230D+02  0.477644D+00  0.233356D+01  0.320598D+01  0.138470D+02
      2   0.121288D+02  0.520139D+01  0.117059D+02  0.668936D+01  0.163833D+01
      3  -0.355918D+01  0.486796D+00  0.526097D+01  0.667972D+01  0.953116D+01
               141           142           143           144           145 
      1  -0.129786D+02  0.100716D+01 -0.423040D+01 -0.303584D+01 -0.327370D+01
      2   0.154134D+01  0.704756D+01  0.350029D+01 -0.485858D+01  0.134277D+02
      3  -0.455197D+01  0.436868D+01 -0.261871D+01 -0.398963D+01 -0.147529D+02
               146           147           148           149           150 
      1   0.801856D-01  0.274004D+01 -0.803712D+00 -0.377420D+01 -0.388914D+01
      2  -0.932391D+00 -0.573858D+01 -0.295242D+01  0.275284D+01  0.565766D+01
      3   0.334596D+01  0.409970D+01  0.139924D+02  0.235683D+02 -0.232971D+01
               151           152           153           154           155 
      1   0.487692D+01  0.742851D+00  0.839033D+01 -0.131955D+01  0.671466D+00
      2  -0.158177D+02  0.377998D+01 -0.174687D+02 -0.129366D+01  0.859750D+00
      3   0.549736D+01 -0.305136D+01 -0.798878D+01 -0.744698D+01 -0.172524D+01
               156           157           158           159           160 
      1   0.285117D+01  0.436264D+00 -0.163423D+01 -0.326543D+01  0.138158D+01
      2   0.371039D+01  0.245200D+00 -0.108792D+01 -0.216259D+01 -0.353407D-01
      3   0.237031D+00  0.438011D+01  0.759738D+00  0.678855D+00  0.556489D+00
               161           162           163           164           165 
      1  -0.353973D+00  0.422866D+00  0.388632D+01  0.420764D+01  0.433121D+01
      2  -0.801181D+00  0.167358D+00 -0.110439D+02 -0.170755D+01 -0.389217D+01
      3   0.126306D+01 -0.327823D+00 -0.334964D+01 -0.303994D+01 -0.243880D+01
               166           167           168           169           170 
      1   0.198759D+01  0.193644D+01  0.307204D+00  0.370324D+01  0.337962D+01
      2  -0.273712D+01 -0.102856D+01 -0.175525D+01 -0.768899D+01 -0.135822D+01
      3   0.523448D+00 -0.979899D-01 -0.461259D+00 -0.148102D+01 -0.187761D+01
               171           172           173           174           175 
      1   0.385447D+01 -0.167061D+01 -0.461640D+01  0.520359D+00 -0.251345D+01
      2  -0.338716D+01  0.959914D+01  0.376372D+01 -0.431320D+01  0.435142D+01
      3  -0.163735D+01  0.460550D+01  0.484688D+00 -0.255164D+01  0.418622D+01
               176           177           178           179           180 
      1  -0.367179D+01 -0.181664D+00  0.105614D+01  0.281071D+01 -0.528832D+00
      2   0.369495D+01 -0.412906D+01 -0.537831D+01 -0.326455D+01  0.389182D+01
      3   0.865858D+00 -0.212134D+01 -0.261564D+01 -0.196374D+00  0.226263D+01
               181           182           183           184           185 
      1   0.645585D+01  0.405263D+01  0.112048D+01  0.328449D+01  0.146462D+01
      2  -0.189577D+02 -0.456301D+01 -0.331097D+01 -0.603841D+01 -0.239541D+01
      3  -0.272120D+01 -0.162186D+01 -0.114838D+01  0.976904D+00 -0.341810D+00
               186           187           188           189           190 
      1   0.998796D+00  0.229193D+01  0.279463D+01  0.241410D+01 -0.392453D+00
      2  -0.475999D+00 -0.730415D+01 -0.104330D+01 -0.474780D+01 -0.814022D+00
      3   0.123907D+00 -0.713393D+00 -0.792916D+00 -0.653348D+00 -0.787049D+00
               191           192           193           194           195 
      1  -0.782327D+00 -0.607945D+00 -0.186134D+01 -0.163672D+02  0.101059D+01
      2   0.111191D+01 -0.343920D+00  0.288124D+01 -0.236431D+01  0.295024D+01
      3  -0.634876D+00 -0.561557D+00  0.303265D+01 -0.102913D+02  0.415914D+01
               196           197           198           199           200 
      1  -0.272775D-01  0.316420D+01 -0.157220D+01  0.579427D+01 -0.463540D+01
      2  -0.158524D+01  0.727302D+00 -0.585527D+00  0.604121D+01 -0.185427D+01
      3  -0.539511D+00  0.124640D+01 -0.108520D+01  0.462730D+01 -0.436560D+01
               201           202           203           204           205 
      1  -0.446811D+01 -0.307909D+01  0.241492D+01  0.323593D+01 -0.362534D+01
      2   0.281668D+00 -0.303404D+01 -0.416951D-01 -0.127067D+01 -0.496638D+01
      3  -0.385707D+01 -0.166322D+01  0.189093D+01  0.260533D+01 -0.260051D+01
               206           207           208           209           210 
      1   0.386359D+01  0.509552D+01 -0.191084D+01  0.171452D+00 -0.133432D+01
      2   0.167197D+00 -0.115542D+00  0.266859D+01  0.811109D+00  0.431040D+01
      3   0.231707D+01  0.343053D+01  0.233912D+01 -0.117140D+01  0.107076D+01
               211           212           213           214           215 
      1  -0.803619D-01 -0.903853D+00  0.107857D+01 -0.161432D+01  0.421751D+01
      2   0.148060D+01  0.234946D+01 -0.347036D+01  0.197978D+01 -0.262934D+01
      3  -0.715222D+00 -0.766736D-01 -0.222941D+01  0.800301D+00 -0.393751D+01
               216           217           218           219           220 
      1  -0.881708D+01  0.250790D+01 -0.677378D+00 -0.150852D+01 -0.587289D+00
      2   0.211125D+02 -0.988224D+01  0.128757D+01  0.900372D+01  0.320462D+01
      3   0.416769D+01  0.126197D+02 -0.658242D+01 -0.360338D+01 -0.616079D+01
               221           222           223           224           225 
      1   0.846826D+00 -0.272191D+00 -0.228726D+01  0.112291D+01  0.740552D+00
      2  -0.216401D+01 -0.391832D+01  0.682887D+01 -0.124765D+01 -0.559895D+01
      3   0.256853D+01  0.232340D+01 -0.536976D+01  0.425106D+01  0.383421D+01
               226           227           228           229           230 
      1   0.758959D+00  0.360508D+00 -0.170204D+00  0.465311D+00  0.371832D+01
      2  -0.124056D+01 -0.425766D+00  0.138670D+01 -0.819710D-01 -0.162925D+01
      3  -0.170839D+01 -0.158825D+01 -0.441833D+00 -0.278043D+01 -0.254987D+02
               231           232           233           234 
      1  -0.478348D+01 -0.500643D+00 -0.209734D+00  0.301859D+00
      2   0.365519D+01  0.111384D+01  0.180783D+01  0.301040D+00
      3   0.971686D+00 -0.875650D+00  0.190198D+01 -0.174319D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.160392D+02  0.391495D+01 -0.295632D+01  0.704499D+01 -0.290235D+02
      2   0.114022D+02 -0.147819D+01  0.264852D+01  0.121002D+01  0.343888D+02
      3   0.463704D+01 -0.243676D+01  0.307798D+00 -0.825500D+01 -0.536529D+01
      4  -0.779817D+01  0.223851D+01 -0.122188D+02 -0.432517D+01  0.529949D+02
      5  -0.183897D+02 -0.794683D+01 -0.515920D+01 -0.129707D+02  0.448045D+01
      6  -0.563340D+01 -0.870033D+01 -0.601670D+01 -0.540823D+01  0.683126D+01
                 6             7             8             9            10 
      1  -0.139123D+02 -0.454450D+01 -0.153411D+02 -0.192882D+02  0.275244D+01
      2   0.103351D+02  0.287242D+01  0.240331D+01  0.282667D+01  0.149339D+01
      3   0.357724D+01  0.167208D+01  0.129378D+02  0.164616D+02 -0.424584D+01
      4   0.427729D+01 -0.212246D+02  0.309342D+01  0.112240D+02 -0.216108D+01
      5   0.575691D+01 -0.530804D+01  0.701534D+01  0.976267D+01  0.260152D+01
      6   0.764753D+01 -0.381875D+01  0.118483D+02  0.587140D+01  0.988302D+00
                11            12            13            14            15 
      1  -0.523686D+01 -0.107151D+02  0.186400D+01  0.440436D+02  0.347196D+01
      2  -0.403111D+01  0.107345D+02 -0.643519D+01 -0.649484D+02  0.665113D+01
      3   0.926797D+01 -0.193769D-01  0.457119D+01  0.209048D+02 -0.101231D+02
      4   0.228587D+01  0.380655D+01  0.963741D+01 -0.196454D+02  0.454248D+01
      5   0.921328D+00 -0.259683D+01  0.367996D+01  0.400594D-01  0.277311D+01
      6   0.166224D+02  0.137170D+02  0.711528D+01  0.525444D+01 -0.624753D+01
                16            17            18            19            20 
      1  -0.111661D+02 -0.115127D+01  0.219225D+02  0.173424D+02 -0.685199D-01
      2   0.588489D+01  0.243758D+02 -0.813283D+01 -0.144713D+02 -0.255380D+01
      3   0.528119D+01 -0.232246D+02 -0.137897D+02 -0.287105D+01  0.262232D+01
      4   0.399557D+01  0.777955D+01  0.458989D+01 -0.377586D+01  0.589988D+01
      5  -0.338611D-02  0.629558D+01  0.709424D+01  0.258020D+01  0.842496D+01
      6   0.136196D+02 -0.219873D+02 -0.282273D+02 -0.260306D+01 -0.582955D+01
                21            22            23            24            25 
      1   0.506776D+01  0.237852D+01  0.114774D+02  0.124136D+02 -0.247326D+01
      2  -0.394121D+01 -0.288829D+01 -0.741359D+01 -0.284752D+01 -0.143385D+01
      3  -0.112655D+01  0.509770D+00 -0.406384D+01 -0.956604D+01  0.390711D+01
      4   0.595722D+01  0.125030D+01 -0.549161D+02 -0.158975D+02 -0.974798D+00
      5   0.599949D+01  0.627557D+01 -0.108262D+02 -0.116012D+02  0.149397D+02
      6  -0.998128D+00 -0.143103D+01 -0.766275D+01 -0.115215D+01 -0.107594D+01
                26            27            28            29            30 
      1   0.106160D+02  0.118727D+02 -0.362794D+02 -0.158572D+01 -0.159847D+02
      2  -0.103200D+02 -0.131182D+02  0.278481D+02 -0.679469D+01  0.998504D+01
      3  -0.295976D+00  0.124549D+01  0.843123D+01  0.838040D+01  0.599969D+01
      4  -0.178428D+02 -0.132384D+02 -0.220002D+01  0.187566D+01 -0.110021D+02
      5  -0.104160D+02 -0.137702D+02 -0.114701D+02 -0.150676D+02 -0.175187D+02
      6   0.443910D+01 -0.526992D+01  0.155611D+01  0.867750D+01  0.773945D+01
                31            32            33            34            35 
      1  -0.161102D+02  0.127315D+02 -0.174461D+02 -0.186080D+02 -0.218441D+02
      2   0.721391D+01 -0.271177D+02  0.171263D+02  0.631083D+01  0.269149D+02
      3   0.889628D+01  0.143862D+02  0.319851D+00  0.122971D+02 -0.507084D+01
      4  -0.477352D+01  0.409678D+02  0.229467D+01 -0.135591D+02  0.118436D+01
      5  -0.146854D+02 -0.426437D+01  0.109313D+02 -0.293041D+02  0.266647D+02
      6   0.228390D+01  0.128243D+02 -0.891887D+01  0.142033D+02 -0.191714D+02
                36            37            38            39            40 
      1  -0.147460D+02 -0.146293D+02 -0.417623D+01  0.151848D+01 -0.141038D+02
      2   0.109114D+02  0.108274D+02  0.345894D+01 -0.272492D+01  0.770245D+00
      3   0.383461D+01  0.380191D+01  0.717298D+00  0.120644D+01  0.133336D+02
      4   0.234757D+02  0.551267D+01  0.132156D+01  0.453683D+01  0.231156D+01
      5   0.319782D+02  0.445698D+01 -0.472962D+00 -0.133952D+01 -0.107182D+01
      6  -0.181726D+02  0.711891D+01 -0.411034D+00  0.403823D+01  0.354705D-01
                41            42            43            44            45 
      1   0.218612D+02  0.343114D+01  0.110984D+02  0.121357D+02  0.670439D+00
      2  -0.126203D+02 -0.103833D+02 -0.329882D+01 -0.141520D+02  0.501591D+01
      3  -0.924087D+01  0.695212D+01 -0.779963D+01  0.201628D+01 -0.568635D+01
      4  -0.869691D+01 -0.135608D+01  0.961564D+01 -0.856254D-01  0.126842D+01
      5   0.134760D+01  0.555063D+01 -0.638619D+01  0.906512D+00 -0.116196D+01
      6  -0.135156D+02 -0.189104D+02 -0.677533D+00 -0.106561D+02  0.342577D+01
                46            47            48            49            50 
      1   0.603934D+00 -0.942329D+01 -0.151506D+02 -0.109715D+02 -0.548272D+01
      2  -0.788667D+01  0.245476D+01  0.118143D+02  0.910388D+01  0.482897D+01
      3   0.728273D+01  0.696854D+01  0.333637D+01  0.186762D+01  0.653748D+00
      4  -0.161384D+02  0.342099D+01 -0.969534D+01  0.522365D+01  0.194313D+02
      5  -0.188789D+02 -0.504582D+01  0.810347D+01  0.125891D+01 -0.645290D+01
      6  -0.105729D+02  0.163060D+00  0.134944D+01 -0.125830D+01 -0.442318D+01
                51            52            53            54            55 
      1  -0.587627D+01 -0.214282D+02 -0.858988D+01  0.109731D+02 -0.966437D+01
      2  -0.284630D+01  0.116807D+02  0.374198D+01 -0.514453D+01 -0.545564D+01
      3   0.872257D+01  0.974749D+01  0.484789D+01 -0.582857D+01  0.151200D+02
      4  -0.852378D+01 -0.855714D+01 -0.943885D+01  0.212157D+01  0.233800D+02
      5  -0.514234D+01  0.112205D+02 -0.100097D+01  0.470244D+01  0.377596D+00
      6   0.856899D+01  0.572944D+01 -0.851781D+00  0.342833D+01  0.204406D+01
                56            57            58            59            60 
      1   0.918111D+01  0.346904D+01  0.296831D+01 -0.130684D+02  0.289265D+01
      2   0.478356D+01 -0.109315D+02  0.456571D+01  0.897783D+01 -0.119838D+00
      3  -0.139647D+02  0.746243D+01 -0.753402D+01  0.409054D+01 -0.277281D+01
      4  -0.246594D+02  0.208053D+01 -0.231446D+02  0.635285D+01  0.331380D+01
      5   0.239992D+01  0.126239D+01 -0.229851D+01  0.249145D+01  0.368072D+00
      6  -0.101601D+02 -0.690515D+01 -0.620804D+01  0.361936D+01 -0.611304D+00
                61            62            63            64            65 
      1   0.813617D+00  0.614410D+01  0.155572D+01  0.795428D+01  0.829321D+01
      2  -0.528533D+01 -0.756876D+01  0.866319D+01  0.741641D+01  0.171354D+01
      3   0.447171D+01  0.142466D+01 -0.102189D+02 -0.153707D+02 -0.100067D+02
      4   0.519406D+01  0.563648D+01 -0.767021D+01 -0.455691D+01 -0.350219D+00
      5   0.307089D+01 -0.191997D+01 -0.155735D+01 -0.394476D+01  0.379789D+01
      6  -0.527785D+01  0.609851D+01  0.774991D+01  0.743725D+01  0.152141D+02
                66            67            68            69            70 
      1  -0.318189D+01  0.139960D+02 -0.263477D+01 -0.154914D+01  0.161342D+01
      2   0.156259D+02  0.416401D+01 -0.293372D+01 -0.211115D+01  0.114064D+02
      3  -0.124440D+02 -0.181601D+02  0.556849D+01  0.366029D+01 -0.130199D+02
      4   0.312535D+01  0.248059D+01 -0.261133D+01  0.906771D+01 -0.287122D+01
      5  -0.192862D+02  0.140370D+01  0.586891D+01 -0.144592D+02 -0.141315D+02
      6  -0.108475D+02  0.136159D+02 -0.550598D+01  0.561483D+01 -0.501742D+01
                71            72            73            74            75 
      1  -0.707340D+01 -0.443121D+01  0.357302D+02  0.100763D+02  0.111809D+02
      2   0.481127D+01 -0.114645D+01 -0.200315D+02 -0.470028D+01 -0.945378D+01
      3   0.226213D+01  0.557766D+01 -0.156987D+02 -0.537599D+01 -0.172707D+01
      4   0.568301D+01 -0.233914D+00  0.280764D+02  0.150082D+02  0.124196D+02
      5  -0.626889D+01 -0.547680D+01  0.246180D+02  0.968496D+01  0.171116D+02
      6  -0.613667D-01  0.145635D+01  0.844319D+01  0.524658D+01  0.590681D+01
                76            77            78            79            80 
      1   0.450069D+01  0.610958D+00 -0.427850D+00  0.122308D+02  0.360831D+01
      2  -0.616377D+00  0.250843D+01  0.427864D+00 -0.856491D+01  0.291104D+00
      3  -0.388431D+01 -0.311939D+01 -0.137845D-04 -0.366589D+01 -0.389941D+01
      4   0.137757D+02  0.125988D+02  0.920355D+01  0.144073D+02  0.130969D+02
      5   0.656249D+01  0.822357D+01  0.679826D+01  0.158375D+02  0.560957D+01
      6   0.537860D+01  0.674388D+01  0.578832D+01  0.624049D+01  0.521917D+01
                81            82            83            84            85 
      1   0.584753D+01 -0.150639D+01 -0.513887D+01  0.392940D+00 -0.227737D+01
      2  -0.567871D+01  0.726996D+01  0.129484D+02 -0.649225D+00  0.761772D+01
      3  -0.168824D+00 -0.576357D+01 -0.780951D+01  0.256285D+00 -0.534035D+01
      4   0.836041D+01  0.598872D+01  0.148531D+02 -0.141944D+01  0.773824D+01
      5   0.109680D+02 -0.336678D+00  0.558297D+00  0.232783D+01 -0.849004D-01
      6   0.530376D+01 -0.151859D+01 -0.130562D+01 -0.231719D+00 -0.455318D+00
                86            87            88            89            90 
      1  -0.485491D+02  0.233418D+01  0.158197D+01  0.127449D+02 -0.794923D+01
      2   0.869602D+02 -0.641806D+01 -0.217402D+01 -0.251766D+02  0.881745D+01
      3  -0.384111D+02  0.408389D+01  0.592047D+00  0.124317D+02 -0.868222D+00
      4   0.212475D+02 -0.211342D+01 -0.290454D+01 -0.619902D+01  0.220318D+01
      5   0.301847D+00  0.552806D+00  0.165027D+01  0.847764D+00 -0.162957D+01
      6  -0.571927D+01  0.805376D+01 -0.615307D+00  0.152194D+02 -0.200537D+01
                91            92            93            94            95 
      1  -0.239594D+01  0.368515D+01  0.556788D+01  0.182858D+01 -0.153312D+02
      2  -0.144925D+01 -0.185082D+01 -0.247613D+01 -0.174483D+01  0.163864D+02
      3   0.384519D+01 -0.183433D+01 -0.309175D+01 -0.837412D-01 -0.105519D+01
      4  -0.336107D+01  0.544365D+01  0.509777D+01  0.116338D+01  0.911205D+00
      5  -0.323176D+01  0.365763D+01  0.715033D+01  0.756889D+00 -0.980651D+00
      6   0.635008D+01 -0.718273D+01 -0.870905D+01 -0.363939D+01  0.119079D+02
                96            97            98            99           100 
      1  -0.889823D+01  0.774248D+01 -0.185983D+02 -0.284437D+02  0.709719D+02
      2   0.651226D+01 -0.152027D+01  0.712620D+01  0.216906D+01 -0.392474D+02
      3   0.238597D+01 -0.622221D+01  0.114721D+02  0.262746D+02 -0.317245D+02
      4  -0.135162D+01  0.350171D+01 -0.186351D+01 -0.223669D+01 -0.108128D+02
      5  -0.120999D+01  0.563428D+01 -0.331128D+01 -0.460018D+01  0.172388D+02
      6   0.137557D+02 -0.852914D+01  0.279372D+02  0.403464D+02 -0.548391D+01
               101           102           103           104           105 
      1   0.196897D+01  0.160907D+02  0.211892D+02  0.438423D+01  0.498453D+01
      2  -0.296666D+01 -0.977288D+01 -0.125236D+02 -0.148062D+01 -0.431584D+01
      3   0.997694D+00 -0.631784D+01 -0.866558D+01 -0.290361D+01 -0.668684D+00
      4   0.823456D+01 -0.222160D+01  0.542461D+01  0.306353D+01  0.277747D+01
      5   0.206634D+00  0.143790D+02  0.505485D+01  0.332936D+01  0.378243D+01
      6  -0.147844D+00 -0.481991D+01 -0.433009D+00 -0.982466D+00  0.853501D+00
               106           107           108           109           110 
      1   0.262333D+02  0.684134D+00  0.123843D+02  0.156564D+02 -0.575988D+01
      2  -0.164121D+02 -0.285195D+01 -0.101329D+02 -0.109101D+02  0.378024D+01
      3  -0.982119D+01  0.216782D+01 -0.225136D+01 -0.474626D+01  0.197964D+01
      4  -0.536533D+01  0.511020D+01 -0.301851D+01 -0.980236D+01  0.643461D+01
      5   0.186607D+02 -0.112611D+01  0.102581D+02 -0.130963D+02  0.817292D+01
      6  -0.446073D+01  0.239969D+01 -0.200522D+01  0.544442D+01 -0.374529D+01
               111           112           113           114           115 
      1  -0.837156D+01 -0.215978D+01 -0.300227D+00  0.160349D+01 -0.161201D+02
      2   0.588708D+01 -0.444710D+00  0.497543D+01  0.182488D+00  0.130297D+02
      3   0.248447D+01  0.260449D+01 -0.467520D+01 -0.178598D+01  0.309038D+01
      4   0.882384D+01  0.117800D+02 -0.179531D+02 -0.103523D+02  0.210575D+02
      5   0.158378D+02  0.688806D+01 -0.938070D+01 -0.102366D+02  0.283236D+02
      6  -0.582762D+01 -0.466646D+01  0.583508D+01  0.104948D+02 -0.129338D+02
               116           117           118           119           120 
      1   0.717081D+01  0.500939D+01 -0.588789D+00 -0.939497D+01  0.407000D+01
      2  -0.614005D+01 -0.144363D+02  0.129537D+01  0.114543D+02 -0.253657D+01
      3  -0.103076D+01  0.942687D+01 -0.706580D+00 -0.205933D+01 -0.153343D+01
      4  -0.205580D+02 -0.220118D+02 -0.544159D+00 -0.212104D+01  0.982808D-01
      5  -0.240385D+02 -0.467693D+02  0.198013D+01  0.171166D+01  0.158651D+01
      6   0.175398D+02  0.256423D+02 -0.166305D+01 -0.324648D+01  0.106284D+01
               121           122           123           124           125 
      1  -0.769937D+01 -0.214758D+02  0.752746D+01  0.496521D+01  0.102301D+02
      2  -0.856746D-01  0.459316D+02 -0.100556D+02 -0.595316D+00 -0.161147D+02
      3   0.778504D+01 -0.244558D+02  0.252811D+01 -0.436989D+01  0.588459D+01
      4   0.153158D+02 -0.465231D+02  0.751744D+01 -0.367598D+01  0.141052D+02
      5   0.996664D-01  0.108947D+02 -0.862560D+01  0.682523D+01 -0.132947D+02
      6   0.268338D+01 -0.167545D+02  0.983333D+01 -0.388473D+01  0.156316D+02
               126           127           128           129           130 
      1  -0.354158D+01  0.461762D+00 -0.112411D+01 -0.283861D+00  0.535770D+00
      2   0.428102D+01  0.201984D+01  0.728459D+00  0.523726D+00 -0.147741D+01
      3  -0.739443D+00 -0.248161D+01  0.395652D+00 -0.239865D+00  0.941642D+00
      4  -0.104309D+02 -0.672485D+00  0.822724D+01  0.223648D+01  0.681415D+01
      5   0.197992D+01 -0.979725D+00  0.351231D+01  0.385757D+01  0.327131D+01
      6  -0.543437D+01  0.381779D+01 -0.187607D-01  0.105247D+01 -0.319918D+01
               131           132           133           134           135 
      1  -0.226110D+02 -0.107479D+02  0.390636D+00 -0.917132D+01 -0.103202D+02
      2   0.269792D+02  0.853174D+01  0.551705D+00  0.637913D+01  0.195144D+01
      3  -0.436819D+01  0.221621D+01 -0.942340D+00  0.279219D+01  0.836874D+01
      4  -0.131970D+01 -0.130411D+01  0.181291D+01 -0.130426D+01  0.412993D+00
      5  -0.206289D+01 -0.105274D+01  0.298881D+01 -0.766322D+00 -0.222052D+01
      6   0.258262D+02  0.167370D+02 -0.991477D+00  0.155003D+02  0.116740D+02
               136           137           138           139           140 
      1   0.622503D+01  0.615110D+01  0.120951D+02  0.938405D+01  0.136226D+02
      2   0.156050D+02 -0.497088D+01 -0.113535D+02 -0.104797D+02 -0.185596D+02
      3  -0.218301D+02 -0.118022D+01 -0.741606D+00  0.109563D+01  0.493695D+01
      4   0.942539D+01  0.272421D+01  0.283923D+01  0.447414D+00 -0.156908D+02
      5   0.140571D+02 -0.732185D+01 -0.208128D+02 -0.112106D+02  0.641240D+01
      6  -0.487654D+01  0.241139D+01  0.407425D+01  0.540554D+01  0.276556D+02
               141           142           143           144           145 
      1  -0.172122D+01  0.952400D+01  0.182212D+01 -0.151328D+02 -0.177838D+02
      2   0.167454D+02 -0.884145D+01  0.972801D+01  0.170793D+01  0.144692D+02
      3  -0.150241D+02 -0.682547D+00 -0.115501D+02  0.134249D+02  0.331458D+01
      4   0.748426D+01  0.406823D+01  0.458669D+01  0.153122D+01  0.215679D+02
      5   0.924270D+01 -0.211514D+02  0.462146D+01  0.349780D+01  0.255468D+02
      6  -0.953962D+01  0.111951D+01 -0.339923D+01 -0.121824D+02  0.755324D+01
               146           147           148           149           150 
      1   0.179480D+02  0.242215D+02  0.291079D+02  0.116748D+02 -0.212792D+01
      2  -0.109304D+02 -0.108523D+02 -0.214166D+02 -0.272924D+02  0.347255D+01
      3  -0.701756D+01 -0.133692D+02 -0.769128D+01  0.156176D+02 -0.134463D+01
      4   0.191504D+01  0.447413D+01 -0.486917D+01 -0.341882D+02  0.665469D+01
      5   0.189794D+01 -0.963965D+01 -0.104611D+01  0.568655D+01  0.946100D+01
      6   0.888394D+00 -0.189560D+01  0.489192D+00 -0.103537D+01  0.250841D+01
               151           152           153           154           155 
      1   0.299625D+02 -0.127433D+01 -0.133357D+02  0.223891D+02 -0.919688D+01
      2  -0.126809D+02  0.262701D+01  0.142511D+02  0.276588D+00 -0.781032D+01
      3  -0.172816D+02 -0.135268D+01 -0.915395D+00 -0.226657D+02  0.170072D+02
      4   0.336436D+01  0.699171D+01  0.533738D+01 -0.347699D+02  0.296880D+02
      5  -0.148751D+02  0.725728D+01 -0.240684D+02  0.288366D+01 -0.271877D+01
      6  -0.392497D+01  0.364138D+01 -0.822567D+01 -0.351960D+01  0.361401D+01
               156           157           158           159           160 
      1  -0.598622D+00 -0.362752D+01 -0.306266D+00  0.986086D-01 -0.634090D+00
      2   0.106376D+01 -0.981843D+01  0.174005D+02  0.786295D+00  0.621252D+00
      3  -0.465141D+00  0.134459D+02 -0.170942D+02 -0.884904D+00  0.128378D-01
      4  -0.108775D+01  0.242361D+02 -0.261457D+02  0.261953D+00 -0.326764D+00
      5   0.553561D+01 -0.190474D+01  0.143633D+01 -0.198087D+01  0.614668D+01
      6  -0.295045D+01  0.275216D+01 -0.334456D+01  0.501736D+01 -0.407463D+01
               161           162           163           164           165 
      1   0.154546D+00  0.162849D+00  0.232612D+01  0.132062D+01 -0.485931D+01
      2   0.139885D+01  0.557035D+00 -0.138210D+02 -0.187456D+01 -0.152883D+02
      3  -0.155340D+01 -0.719884D+00  0.114949D+02  0.553944D+00  0.201476D+02
      4  -0.447325D+00 -0.507496D+01 -0.141318D+01  0.374317D+01 -0.247816D+01
      5  -0.421678D+01  0.351080D+00  0.191374D+02  0.513564D+00  0.203449D+02
      6   0.648203D+01 -0.251863D+01 -0.386604D+01  0.254864D+01 -0.461841D+01
               166           167           168           169           170 
      1  -0.158117D+01 -0.686909D+00 -0.176755D+01 -0.337273D+01  0.811058D+00
      2  -0.229735D+01 -0.241386D+01 -0.314143D+01 -0.125147D+02 -0.134730D+01
      3   0.387852D+01  0.310076D+01  0.490898D+01  0.158874D+02  0.536244D+00
      4   0.292666D+01  0.332958D+00  0.164399D+01 -0.154185D+01  0.186011D+01
      5   0.160351D+01  0.341170D+01  0.304200D+01  0.174425D+02  0.159492D+01
      6   0.227885D+01  0.111866D+01  0.544780D+01 -0.217496D+01  0.499812D+01
               171           172           173           174           175 
      1  -0.138611D+02 -0.301171D+01 -0.625532D+01  0.895917D+01 -0.491190D+01
      2  -0.214320D+02 -0.344961D+01  0.102533D+01  0.349799D+01  0.518345D+00
      3   0.352931D+02  0.646133D+01  0.522999D+01 -0.124572D+02  0.439355D+01
      4  -0.193259D+01  0.627765D+01  0.560388D+01 -0.598124D+01  0.485873D+01
      5   0.224220D+02 -0.134454D+02 -0.690172D+01  0.143975D+02 -0.620727D+01
      6  -0.639240D+01 -0.972577D+01 -0.118045D+02  0.133284D+02 -0.894130D+01
               176           177           178           179           180 
      1  -0.923960D+01  0.965518D+01  0.432036D+01  0.719092D+01 -0.126377D+02
      2   0.693769D+01 -0.225147D+00  0.193113D+01  0.392196D+00 -0.687889D+01
      3   0.230192D+01 -0.943004D+01 -0.625150D+01 -0.758311D+01  0.195165D+02
      4   0.419807D+01 -0.410524D+01 -0.246992D+01 -0.301610D+01  0.320509D+01
      5  -0.601056D+01  0.685187D+01  0.974143D+01  0.473412D+01 -0.906925D+01
      6  -0.131978D+02  0.140699D+02  0.680428D+01  0.101927D+02 -0.151960D+02
               181           182           183           184           185 
      1  -0.452809D+01 -0.161025D+00 -0.116714D+02 -0.227077D+01 -0.322090D+01
      2  -0.489782D+01 -0.697032D+00 -0.547975D+01  0.866181D+00  0.186399D+01
      3   0.942592D+01  0.858057D+00  0.171511D+02  0.140459D+01  0.135691D+01
      4  -0.789624D+01 -0.834005D+00 -0.278891D+01 -0.725682D+00  0.227495D+00
      5   0.119427D+02  0.233881D+01  0.633972D+01  0.407504D+01  0.796601D+00
      6   0.194544D+01  0.448762D+01 -0.314765D+01  0.238901D+01 -0.332303D+00
               186           187           188           189           190 
      1  -0.340330D+01 -0.670649D+01 -0.160996D+01 -0.771795D+01 -0.102661D+01
      2  -0.381398D+01 -0.370165D+01 -0.192474D+01 -0.685876D+01  0.851915D+00
      3   0.721727D+01  0.104081D+02  0.353470D+01  0.145767D+02  0.174700D+00
      4  -0.881321D+00 -0.276965D+01  0.174642D+00 -0.254462D+01  0.244036D+01
      5  -0.114347D+01  0.932536D+01  0.656013D+00  0.554925D+01 -0.324969D+01
      6   0.291422D+01 -0.342729D-01  0.341639D+01  0.107152D+01 -0.329392D+01
               191           192           193           194           195 
      1   0.150769D+01 -0.128170D+01  0.113945D+00 -0.218244D+02  0.120429D+02
      2  -0.113926D+00  0.171307D+01  0.214433D+01  0.306599D+02 -0.681732D+01
      3  -0.139376D+01 -0.431375D+00 -0.225827D+01 -0.883550D+01 -0.522561D+01
      4   0.695112D+01 -0.259264D+01  0.870744D+01  0.186264D+02 -0.704901D+01
      5  -0.333446D+01  0.541777D+01 -0.484822D+01 -0.655732D+01  0.556481D+01
      6  -0.200491D+01  0.774737D+00 -0.462950D+01 -0.363917D+02  0.201868D+02
               196           197           198           199           200 
      1  -0.428843D+00  0.516026D+01 -0.493213D+01  0.146097D+02 -0.293918D+01
      2   0.144370D+01 -0.828192D+00  0.101968D+01 -0.206939D+02  0.367001D+01
      3  -0.101486D+01 -0.433207D+01  0.391245D+01  0.608427D+01 -0.730829D+00
      4  -0.844513D+00 -0.215554D+01  0.271736D+01 -0.101020D+01  0.490142D+01
      5   0.387691D+01  0.214231D+01 -0.315251D+01 -0.293140D+02  0.464667D+01
      6   0.103076D+01  0.110930D+02 -0.725883D+01  0.328504D+01 -0.597079D+01
               201           202           203           204           205 
      1  -0.402680D+01 -0.471029D+01 -0.214708D+00 -0.593099D-01 -0.239604D+01
      2   0.175889D+02  0.709500D+01 -0.119567D+01 -0.853940D+01  0.125732D+02
      3  -0.135621D+02 -0.238471D+01  0.141038D+01  0.859871D+01 -0.101771D+02
      4   0.305020D-01  0.450817D+01 -0.239902D+01 -0.457577D+01 -0.697567D+00
      5   0.272396D+02  0.110626D+02 -0.683925D+01 -0.109809D+02  0.201008D+02
      6  -0.984185D+00 -0.558584D+01  0.200064D+01  0.685037D+01 -0.184122D+01
               206           207           208           209           210 
      1   0.909064D-01 -0.242857D+01  0.789616D+01 -0.241118D+01  0.518683D+01
      2  -0.408335D+01 -0.170491D+02 -0.754717D+01  0.154139D+01 -0.592785D+01
      3   0.399245D+01  0.194776D+02 -0.348993D+00  0.869795D+00  0.741019D+00
      4  -0.268584D+01 -0.115099D+01 -0.110610D+01  0.133126D+01  0.822676D+00
      5  -0.415508D+01 -0.227346D+02  0.752929D+01 -0.721612D+00  0.134672D+02
      6   0.553977D+01  0.213909D+01  0.859304D+00  0.287323D+00  0.208478D+01
               211           212           213           214           215 
      1  -0.679091D+01 -0.115021D+01 -0.101685D+01  0.111108D+02  0.783557D+00
      2   0.441587D+01  0.140537D+01  0.188186D+01 -0.946750D+01  0.173321D+01
      3   0.237504D+01 -0.255165D+00 -0.865005D+00 -0.164330D+01 -0.251676D+01
      4   0.240784D+01  0.137826D+01  0.400861D+01  0.432682D+01  0.672724D+01
      5  -0.195869D+01  0.348053D+01 -0.442506D+01  0.192704D+02 -0.878676D+00
      6   0.791303D+00  0.386492D-02  0.291137D+01  0.488353D+01  0.385648D+01
               216           217           218           219           220 
      1   0.388493D+01  0.648311D+02 -0.708214D+01 -0.159296D+02 -0.232005D+02
      2  -0.169283D+02 -0.350979D+02  0.512930D+01  0.888462D+01  0.133700D+02
      3   0.130433D+02 -0.297332D+02  0.195284D+01  0.704495D+01  0.983055D+01
      4   0.282781D+00 -0.404001D+00  0.856922D+01  0.553387D+00  0.103457D+02
      5   0.380108D+02 -0.161798D+02  0.164219D+01  0.131107D+02  0.504583D+01
      6   0.111867D+02 -0.355929D+01  0.352187D+00  0.306422D+01 -0.550864D-01
               221           222           223           224           225 
      1   0.592147D+01  0.422538D+01 -0.294730D+02  0.152050D+01  0.121153D+02
      2  -0.659642D+00 -0.297425D+01  0.166936D+02 -0.206218D+01 -0.977041D+01
      3  -0.526183D+01 -0.125113D+01  0.127794D+02  0.541676D+00 -0.234487D+01
      4  -0.243640D+01 -0.390247D+01 -0.102321D+01 -0.623301D+01 -0.159062D+01
      5  -0.368573D+01 -0.600411D+01  0.174052D+02 -0.233035D+01 -0.107713D+02
      6   0.440815D+00  0.583875D+00  0.264621D+01  0.677884D+00 -0.101554D+01
               226           227           228           229           230 
      1   0.534036D+01  0.507508D+01 -0.218853D+01  0.591913D+01 -0.125749D+02
      2   0.365291D+00 -0.149948D+01  0.111034D+01  0.634093D+01  0.391651D+02
      3  -0.570565D+01 -0.357560D+01  0.107819D+01 -0.122601D+02 -0.265901D+02
      4   0.512969D+01  0.934373D+01 -0.587187D+00  0.222125D+02  0.495706D+02
      5  -0.196833D+01  0.273106D+00  0.203118D+01  0.124851D+01 -0.114151D+01
      6  -0.527135D+00  0.147032D-01 -0.240461D+00  0.115732D+01  0.363281D+01
               231           232           233           234 
      1   0.105354D+01 -0.454636D+01  0.566238D+00 -0.397496D+00
      2  -0.160496D+01  0.118110D+01 -0.257258D+01  0.177046D+01
      3   0.551421D+00  0.336526D+01  0.200635D+01 -0.137296D+01
      4  -0.117015D+01 -0.253802D+01 -0.419959D+01  0.440425D+01
      5   0.618629D+01  0.442696D+01  0.475398D+01  0.872525D+00
      6   0.668925D+01  0.243162D+01  0.644673D+01 -0.562102D+00
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Thu Jul 22 19:36:04 2021, MaxMem=  5637144576 cpu:           41863.7 elap:            5245.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 0 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A)
 The electronic state is 1-A.
 Alpha  occ. eigenvalues --  -10.18022 -10.17220 -10.17141 -10.16839 -10.16664
 Alpha  occ. eigenvalues --  -10.16359 -10.16195 -10.15608 -10.15407 -10.14997
 Alpha  occ. eigenvalues --   -0.88279  -0.78753  -0.75064  -0.73279  -0.68154
 Alpha  occ. eigenvalues --   -0.67208  -0.61284  -0.59643  -0.54931  -0.49604
 Alpha  occ. eigenvalues --   -0.47513  -0.45334  -0.44373  -0.43114  -0.42051
 Alpha  occ. eigenvalues --   -0.40911  -0.40630  -0.39466  -0.38460  -0.37164
 Alpha  occ. eigenvalues --   -0.36918  -0.35642  -0.35111  -0.32644  -0.29822
 Alpha  occ. eigenvalues --   -0.29681  -0.27991  -0.22823
 Alpha virt. eigenvalues --    0.00039   0.01036   0.01716   0.02171   0.02544
 Alpha virt. eigenvalues --    0.04488   0.04601   0.04846   0.05651   0.06236
 Alpha virt. eigenvalues --    0.06784   0.08174   0.08532   0.08905   0.09852
 Alpha virt. eigenvalues --    0.10232   0.10519   0.11411   0.12290   0.12936
 Alpha virt. eigenvalues --    0.13226   0.13344   0.13977   0.14863   0.15659
 Alpha virt. eigenvalues --    0.15945   0.17222   0.17910   0.18173   0.18794
 Alpha virt. eigenvalues --    0.19232   0.19572   0.20024   0.20247   0.20948
 Alpha virt. eigenvalues --    0.21286   0.21637   0.21819   0.22051   0.22440
 Alpha virt. eigenvalues --    0.22915   0.23105   0.23752   0.24171   0.24356
 Alpha virt. eigenvalues --    0.24637   0.25944   0.26096   0.26295   0.27160
 Alpha virt. eigenvalues --    0.27244   0.27598   0.28324   0.28498   0.28765
 Alpha virt. eigenvalues --    0.29428   0.29807   0.30079   0.30381   0.30556
 Alpha virt. eigenvalues --    0.30889   0.31374   0.31653   0.32526   0.32698
 Alpha virt. eigenvalues --    0.32885   0.33391   0.33841   0.34045   0.34623
 Alpha virt. eigenvalues --    0.34883   0.35312   0.35943   0.36423   0.36528
 Alpha virt. eigenvalues --    0.36917   0.37250   0.37959   0.38675   0.39244
 Alpha virt. eigenvalues --    0.39729   0.40099   0.40460   0.40802   0.41100
 Alpha virt. eigenvalues --    0.41464   0.42141   0.42490   0.43325   0.43490
 Alpha virt. eigenvalues --    0.43831   0.44387   0.44955   0.45285   0.45397
 Alpha virt. eigenvalues --    0.45748   0.46408   0.46830   0.46977   0.47536
 Alpha virt. eigenvalues --    0.47827   0.48445   0.49206   0.50059   0.50303
 Alpha virt. eigenvalues --    0.50572   0.50915   0.51570   0.51697   0.52146
 Alpha virt. eigenvalues --    0.52971   0.53156   0.53918   0.54252   0.54931
 Alpha virt. eigenvalues --    0.55603   0.56160   0.56633   0.57237   0.57527
 Alpha virt. eigenvalues --    0.58618   0.59307   0.59444   0.59865   0.60044
 Alpha virt. eigenvalues --    0.60873   0.62066   0.62596   0.62819   0.63110
 Alpha virt. eigenvalues --    0.63510   0.64270   0.64801   0.65444   0.65677
 Alpha virt. eigenvalues --    0.65978   0.66278   0.66878   0.67358   0.67527
 Alpha virt. eigenvalues --    0.68115   0.68405   0.68529   0.69220   0.70301
 Alpha virt. eigenvalues --    0.70495   0.71292   0.71653   0.72622   0.72750
 Alpha virt. eigenvalues --    0.73285   0.73635   0.74128   0.74516   0.74907
 Alpha virt. eigenvalues --    0.75288   0.76019   0.76401   0.76768   0.77051
 Alpha virt. eigenvalues --    0.78293   0.78497   0.79831   0.80278   0.80504
 Alpha virt. eigenvalues --    0.81260   0.81760   0.82337   0.82887   0.84224
 Alpha virt. eigenvalues --    0.84763   0.85678   0.85846   0.86522   0.86726
 Alpha virt. eigenvalues --    0.88406   0.89593   0.90719   0.91686   0.92510
 Alpha virt. eigenvalues --    0.93564   0.93770   0.95047   0.96322   0.96472
 Alpha virt. eigenvalues --    0.97689   0.98542   1.00063   1.03409   1.04078
 Alpha virt. eigenvalues --    1.04340   1.06384   1.07586   1.08045   1.09147
 Alpha virt. eigenvalues --    1.10691   1.11692   1.15332   1.15803   1.18240
 Alpha virt. eigenvalues --    1.19167   1.21044   1.22518   1.23794   1.25230
 Alpha virt. eigenvalues --    1.26354   1.27292   1.28526   1.29285   1.31097
 Alpha virt. eigenvalues --    1.31426   1.32451   1.33011   1.35424   1.37106
 Alpha virt. eigenvalues --    1.37798   1.39698   1.39969   1.40643   1.42885
 Alpha virt. eigenvalues --    1.44233   1.44405   1.45059   1.46118   1.48367
 Alpha virt. eigenvalues --    1.48746   1.50032   1.51097   1.53750   1.54637
 Alpha virt. eigenvalues --    1.56078   1.56559   1.57906   1.60724   1.62409
 Alpha virt. eigenvalues --    1.64071   1.64784   1.65488   1.67117   1.67939
 Alpha virt. eigenvalues --    1.71173   1.71891   1.74309   1.81369   1.83198
 Alpha virt. eigenvalues --    1.84629   1.84708   1.85700   1.86155   1.87445
 Alpha virt. eigenvalues --    1.88724   1.89324   1.89944   1.90446   1.91870
 Alpha virt. eigenvalues --    1.92333   1.93420   1.94268   1.95661   1.97420
 Alpha virt. eigenvalues --    1.98649   1.99278   2.01141   2.01977   2.02699
 Alpha virt. eigenvalues --    2.04253   2.05430   2.05807   2.07170   2.08935
 Alpha virt. eigenvalues --    2.10498   2.12353   2.13521   2.14967   2.16545
 Alpha virt. eigenvalues --    2.17714   2.19269   2.19895   2.22957   2.23428
 Alpha virt. eigenvalues --    2.26304   2.26538   2.29199   2.31331   2.32530
 Alpha virt. eigenvalues --    2.34782   2.37071   2.37579   2.39652   2.39980
 Alpha virt. eigenvalues --    2.40364   2.42513   2.44932   2.46444   2.47078
 Alpha virt. eigenvalues --    2.49460   2.50156   2.51071   2.52344   2.53419
 Alpha virt. eigenvalues --    2.54710   2.55382   2.56512   2.57621   2.59807
 Alpha virt. eigenvalues --    2.60221   2.61924   2.63193   2.64822   2.65272
 Alpha virt. eigenvalues --    2.67163   2.67266   2.69752   2.71479   2.72416
 Alpha virt. eigenvalues --    2.72924   2.74102   2.75116   2.75927   2.76993
 Alpha virt. eigenvalues --    2.77369   2.78869   2.80715   2.81231   2.81950
 Alpha virt. eigenvalues --    2.82842   2.83577   2.85386   2.87728   2.89275
 Alpha virt. eigenvalues --    2.90417   2.90797   2.91992   2.94169   2.94959
 Alpha virt. eigenvalues --    2.96113   2.97016   2.97581   3.00638   3.01143
 Alpha virt. eigenvalues --    3.02962   3.04336   3.04853   3.06265   3.08525
 Alpha virt. eigenvalues --    3.09221   3.11372   3.12582   3.14588   3.17294
 Alpha virt. eigenvalues --    3.19214   3.19940   3.21762   3.22161   3.24025
 Alpha virt. eigenvalues --    3.25232   3.27017   3.28388   3.28919   3.31695
 Alpha virt. eigenvalues --    3.32665   3.34984   3.35601   3.36009   3.37102
 Alpha virt. eigenvalues --    3.38718   3.39153   3.39776   3.41931   3.43241
 Alpha virt. eigenvalues --    3.44467   3.45425   3.46322   3.47224   3.47977
 Alpha virt. eigenvalues --    3.49229   3.49796   3.51253   3.52254   3.54111
 Alpha virt. eigenvalues --    3.55148   3.56748   3.58724   3.59321   3.60250
 Alpha virt. eigenvalues --    3.62572   3.63585   3.65909   3.67865   3.69109
 Alpha virt. eigenvalues --    3.70314   3.72142   3.72582   3.74510   3.76616
 Alpha virt. eigenvalues --    3.77523   3.79753   3.81546   3.84218   3.84684
 Alpha virt. eigenvalues --    3.85603   3.86870   3.89075   3.90814   3.92001
 Alpha virt. eigenvalues --    3.93230   3.95817   3.96542   3.98991   4.00860
 Alpha virt. eigenvalues --    4.04895   4.05169   4.07726   4.10211   4.14036
 Alpha virt. eigenvalues --    4.16046   4.17152   4.18367   4.20873   4.22939
 Alpha virt. eigenvalues --    4.24788   4.26145   4.27956   4.29761   4.31761
 Alpha virt. eigenvalues --    4.32463   4.34085   4.37810   4.38051   4.41345
 Alpha virt. eigenvalues --    4.43269   4.43798   4.47293   4.48169   4.50922
 Alpha virt. eigenvalues --    4.53525   4.55046   4.57415   4.60056   4.60238
 Alpha virt. eigenvalues --    4.60875   4.63839   4.65163   4.67463   4.68078
 Alpha virt. eigenvalues --    4.74939   4.76644   4.80949   4.83975   4.89514
 Alpha virt. eigenvalues --    4.92319   4.93747   4.98069   5.06446   5.10047
 Alpha virt. eigenvalues --    5.12829   5.16284   5.19027   5.22613   5.23223
 Alpha virt. eigenvalues --    5.29219   5.33770   5.35588   5.54269  22.59488
 Alpha virt. eigenvalues --   22.64387  22.70462  22.75121  22.80240  22.94432
 Alpha virt. eigenvalues --   23.01110  23.06963  23.21177  23.31847
          Condensed to atoms (all electrons):
               1          2          3          4          5          6
     1  C    6.251272  -0.073150   0.403337  -0.304354  -0.090745   0.000811
     2  C   -0.073150   7.127269  -0.132034   0.046367  -0.123756  -0.092980
     3  C    0.403337  -0.132034   7.901165  -0.350525  -1.571579  -0.120136
     4  C   -0.304354   0.046367  -0.350525   7.407406  -0.346648  -0.028128
     5  C   -0.090745  -0.123756  -1.571579  -0.346648   7.690295  -0.068618
     6  C    0.000811  -0.092980  -0.120136  -0.028128  -0.068618   6.391486
     7  C   -0.153725  -0.447113   0.273508   0.060936  -0.006571  -0.382074
     8  C    0.038410   0.099422  -0.063748   0.000290  -0.201485  -0.127687
     9  H    0.458854  -0.165450  -0.148021  -0.011094   0.066738  -0.010790
    10  H    0.001610   0.200533  -0.014483   0.000059   0.002659   0.013108
    11  H   -0.006553   0.376615  -0.004366  -0.006872   0.002541  -0.023493
    12  H   -0.019530  -0.000777  -0.098536   0.424127   0.021247  -0.002590
    13  H    0.011683   0.001633   0.001776   0.359149  -0.022248  -0.010196
    14  H    0.010002  -0.001489   0.011832   0.342750  -0.028556   0.008123
    15  H   -0.006699  -0.009327  -0.293787   0.016571   0.384752   0.050662
    16  C    0.023122   0.094054  -0.040040   0.005393  -0.003638  -0.627549
    17  C   -0.021681  -0.004319  -0.133865  -0.000993   0.008468  -0.523049
    18  H    0.050606  -0.181226   0.009982   0.000269   0.097882  -0.004326
    19  H   -0.005555   0.023485   0.031985  -0.005044  -0.062244   0.011867
    20  H   -0.047302  -0.013224   0.029583   0.003060   0.008452   0.004048
    21  H   -0.041085   0.011992   0.021252   0.005058  -0.033058  -0.124140
    22  H   -0.015149   0.017088  -0.011283   0.003833  -0.012505  -0.008266
    23  H    0.013923  -0.026043  -0.002967  -0.002903   0.010328   0.027651
    24  H    0.001834  -0.007182  -0.019970   0.000161  -0.034482  -0.070892
    25  H    0.000924   0.003354   0.001008  -0.000186   0.022088   0.004988
    26  H   -0.002106   0.001022   0.029644  -0.000443  -0.012109   0.027955
               7          8          9         10         11         12
     1  C   -0.153725   0.038410   0.458854   0.001610  -0.006553  -0.019530
     2  C   -0.447113   0.099422  -0.165450   0.200533   0.376615  -0.000777
     3  C    0.273508  -0.063748  -0.148021  -0.014483  -0.004366  -0.098536
     4  C    0.060936   0.000290  -0.011094   0.000059  -0.006872   0.424127
     5  C   -0.006571  -0.201485   0.066738   0.002659   0.002541   0.021247
     6  C   -0.382074  -0.127687  -0.010790   0.013108  -0.023493  -0.002590
     7  C    6.908810  -0.437186   0.018905   0.024149  -0.022258  -0.000183
     8  C   -0.437186   7.123098  -0.008867  -0.017550   0.019982   0.000731
     9  H    0.018905  -0.008867   0.581297  -0.004081  -0.001567  -0.004580
    10  H    0.024149  -0.017550  -0.004081   0.512815  -0.006364   0.000630
    11  H   -0.022258   0.019982  -0.001567  -0.006364   0.490174   0.000589
    12  H   -0.000183   0.000731  -0.004580   0.000630   0.000589   0.337509
    13  H   -0.002381   0.008511   0.000508  -0.000013  -0.000342   0.015184
    14  H   -0.001823  -0.002841   0.000908  -0.000188  -0.000166   0.007251
    15  H    0.032694  -0.091334   0.003722   0.002031   0.000077   0.003967
    16  C   -0.038256  -0.002170   0.017593   0.007198  -0.012340   0.001938
    17  C   -0.162176   0.086739   0.000182  -0.000676   0.008837   0.000485
    18  H    0.274182  -0.128710   0.002345   0.000709  -0.024844   0.000029
    19  H   -0.087512   0.402357  -0.000780  -0.005474  -0.000184  -0.000053
    20  H    0.070516   0.150876  -0.006145   0.007765  -0.004814   0.000068
    21  H   -0.002452   0.014490  -0.016496  -0.005327   0.003234  -0.000442
    22  H    0.010017   0.002690   0.000912   0.000290   0.000093   0.000058
    23  H   -0.035089  -0.005011   0.001815   0.000578   0.001859  -0.000040
    24  H   -0.035631  -0.010247   0.000186   0.000465   0.000284  -0.000009
    25  H   -0.016914   0.008795  -0.000028  -0.000110  -0.001180  -0.000004
    26  H    0.036730  -0.007171  -0.000078   0.000240   0.000290  -0.000051
              13         14         15         16         17         18
     1  C    0.011683   0.010002  -0.006699   0.023122  -0.021681   0.050606
     2  C    0.001633  -0.001489  -0.009327   0.094054  -0.004319  -0.181226
     3  C    0.001776   0.011832  -0.293787  -0.040040  -0.133865   0.009982
     4  C    0.359149   0.342750   0.016571   0.005393  -0.000993   0.000269
     5  C   -0.022248  -0.028556   0.384752  -0.003638   0.008468   0.097882
     6  C   -0.010196   0.008123   0.050662  -0.627549  -0.523049  -0.004326
     7  C   -0.002381  -0.001823   0.032694  -0.038256  -0.162176   0.274182
     8  C    0.008511  -0.002841  -0.091334  -0.002170   0.086739  -0.128710
     9  H    0.000508   0.000908   0.003722   0.017593   0.000182   0.002345
    10  H   -0.000013  -0.000188   0.002031   0.007198  -0.000676   0.000709
    11  H   -0.000342  -0.000166   0.000077  -0.012340   0.008837  -0.024844
    12  H    0.015184   0.007251   0.003967   0.001938   0.000485   0.000029
    13  H    0.318922   0.017078  -0.010905  -0.000083   0.000572   0.000049
    14  H    0.017078   0.325252  -0.001060   0.000668  -0.001731   0.000042
    15  H   -0.010905  -0.001060   0.712902  -0.017262  -0.025814   0.006861
    16  C   -0.000083   0.000668  -0.017262   7.848713  -0.298301  -0.019600
    17  C    0.000572  -0.001731  -0.025814  -0.298301   7.596051  -0.071789
    18  H    0.000049   0.000042   0.006861  -0.019600  -0.071789   0.798689
    19  H    0.000576   0.000057  -0.009458   0.004003   0.026639  -0.024100
    20  H   -0.001180   0.002017   0.009722  -0.004374   0.001361   0.016997
    21  H    0.000493  -0.000561  -0.003998   0.353089  -0.017003   0.000421
    22  H    0.000415  -0.000806   0.007013   0.322810  -0.018136  -0.001444
    23  H    0.000035   0.000363   0.000747   0.296241   0.018450   0.012777
    24  H    0.000044  -0.000065  -0.002973  -0.015340   0.470680  -0.003856
    25  H   -0.000008   0.000064  -0.002096  -0.007347   0.319147  -0.001517
    26  H   -0.000043   0.000349  -0.002091  -0.016767   0.237827   0.001297
              19         20         21         22         23         24
     1  C   -0.005555  -0.047302  -0.041085  -0.015149   0.013923   0.001834
     2  C    0.023485  -0.013224   0.011992   0.017088  -0.026043  -0.007182
     3  C    0.031985   0.029583   0.021252  -0.011283  -0.002967  -0.019970
     4  C   -0.005044   0.003060   0.005058   0.003833  -0.002903   0.000161
     5  C   -0.062244   0.008452  -0.033058  -0.012505   0.010328  -0.034482
     6  C    0.011867   0.004048  -0.124140  -0.008266   0.027651  -0.070892
     7  C   -0.087512   0.070516  -0.002452   0.010017  -0.035089  -0.035631
     8  C    0.402357   0.150876   0.014490   0.002690  -0.005011  -0.010247
     9  H   -0.000780  -0.006145  -0.016496   0.000912   0.001815   0.000186
    10  H   -0.005474   0.007765  -0.005327   0.000290   0.000578   0.000465
    11  H   -0.000184  -0.004814   0.003234   0.000093   0.001859   0.000284
    12  H   -0.000053   0.000068  -0.000442   0.000058  -0.000040  -0.000009
    13  H    0.000576  -0.001180   0.000493   0.000415   0.000035   0.000044
    14  H    0.000057   0.002017  -0.000561  -0.000806   0.000363  -0.000065
    15  H   -0.009458   0.009722  -0.003998   0.007013   0.000747  -0.002973
    16  C    0.004003  -0.004374   0.353089   0.322810   0.296241  -0.015340
    17  C    0.026639   0.001361  -0.017003  -0.018136   0.018450   0.470680
    18  H   -0.024100   0.016997   0.000421  -0.001444   0.012777  -0.003856
    19  H    0.483689  -0.001566   0.001631   0.000925  -0.000176  -0.002460
    20  H   -0.001566   0.475330   0.000599   0.000222   0.000177  -0.007785
    21  H    0.001631   0.000599   0.452476  -0.001664  -0.026561  -0.001234
    22  H    0.000925   0.000222  -0.001664   0.349690   0.014023  -0.002220
    23  H   -0.000176   0.000177  -0.026561   0.014023   0.366092   0.001761
    24  H   -0.002460  -0.007785  -0.001234  -0.002220   0.001761   0.472016
    25  H    0.003038   0.002529   0.000019  -0.007059   0.000298  -0.017101
    26  H    0.002305   0.003673  -0.000927   0.009844  -0.003931  -0.025876
              25         26
     1  C    0.000924  -0.002106
     2  C    0.003354   0.001022
     3  C    0.001008   0.029644
     4  C   -0.000186  -0.000443
     5  C    0.022088  -0.012109
     6  C    0.004988   0.027955
     7  C   -0.016914   0.036730
     8  C    0.008795  -0.007171
     9  H   -0.000028  -0.000078
    10  H   -0.000110   0.000240
    11  H   -0.001180   0.000290
    12  H   -0.000004  -0.000051
    13  H   -0.000008  -0.000043
    14  H    0.000064   0.000349
    15  H   -0.002096  -0.002091
    16  C   -0.007347  -0.016767
    17  C    0.319147   0.237827
    18  H   -0.001517   0.001297
    19  H    0.003038   0.002305
    20  H    0.002529   0.003673
    21  H    0.000019  -0.000927
    22  H   -0.007059   0.009844
    23  H    0.000298  -0.003931
    24  H   -0.017101  -0.025876
    25  H    0.343589   0.019838
    26  H    0.019838   0.370420
 Mulliken charges:
               1
     1  C   -0.478752
     2  C   -0.724762
     3  C    0.290267
     4  C   -1.618237
     5  C    0.302792
     6  C    1.684216
     7  C    0.120895
     8  C   -0.852381
     9  H    0.224011
    10  H    0.279427
    11  H    0.210765
    12  H    0.312984
    13  H    0.310770
    14  H    0.312530
    15  H    0.245084
    16  C   -1.871756
    17  C   -1.495903
    18  H    0.188273
    19  H    0.212050
    20  H    0.299393
    21  H    0.410196
    22  H    0.338610
    23  H    0.335604
    24  H    0.309892
    25  H    0.323871
    26  H    0.330158
 Sum of Mulliken charges =  -0.00000
 Mulliken charges with hydrogens summed into heavy atoms:
               1
     1  C   -0.254741
     2  C   -0.234570
     3  C    0.290267
     4  C   -0.681953
     5  C    0.547876
     6  C    1.684216
     7  C    0.309169
     8  C   -0.340938
    16  C   -0.787346
    17  C   -0.531981
 Electronic spatial extent (au):  <R**2>=           1370.9507
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=             -0.1061    Y=             -0.1188    Z=             -0.0784  Tot=              0.1775
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=            -64.1971   YY=            -63.4820   ZZ=            -65.0558
   XY=             -0.6875   XZ=              0.4047   YZ=              0.8671
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=              0.0479   YY=              0.7629   ZZ=             -0.8108
   XY=             -0.6875   XZ=              0.4047   YZ=              0.8671
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              2.8450  YYY=             -0.7882  ZZZ=             -2.6022  XYY=              0.7622
  XXY=              1.3031  XXZ=              1.8666  XZZ=             -0.4929  YZZ=              0.7233
  YYZ=              0.5302  XYZ=              0.8950
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=           -987.1609 YYYY=           -529.7992 ZZZZ=           -438.8408 XXXY=             -6.3691
 XXXZ=              4.1686 YYYX=              1.7165 YYYZ=             -2.4589 ZZZX=              1.7210
 ZZZY=              5.8910 XXYY=           -257.5534 XXZZ=           -232.8490 YYZZ=           -162.4644
 XXYZ=              4.2836 YYXZ=             -0.0529 ZZXY=             -1.3946
 N-N= 5.686174202710D+02 E-N=-2.042225634632D+03  KE= 3.886503239587D+02
 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Thu Jul 22 19:36:04 2021, MaxMem=  5637144576 cpu:               2.5 elap:               0.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        =-4.01354395D-02-4.67109708D-02-2.98293330D-02
 Polarizability= 1.17628112D+02-3.73203591D-01 1.14129905D+02
                 4.01355505D-01 4.33344675D+00 1.02520822D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 2     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 3      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 4     -0.0000    0.0000        0.0000    0.0000       -0.0000    0.0000
 5     -0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6     -0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000       -0.2317   -0.2326       -0.3096   -0.3120
 2      0.2317    0.2326       -2.4157   -2.4146       -1.8321   -1.8388
 3      0.3096    0.3120        8.2915    8.2903        2.4167    2.4146
 4      2.4157    2.4146       -0.0000    0.0000        0.3112    0.3120
 5     -6.4595   -6.4515       -0.3112   -0.3120       -0.2300   -0.2326
 6     -2.4167   -2.4146        0.2300    0.2326       -0.0000    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.6977    0.6977       -0.9361   -0.9361
 2      7.2438    7.2438       -0.0000    0.0000       -0.9361   -0.9361
 3      7.2438    7.2438        0.6977    0.6977        0.0000    0.0000
 4      0.6977    0.6977       -7.2438   -7.2438       -5.5163   -5.5163
 5      0.9361    0.9361       24.8710   24.8710        7.2438    7.2438
 6    -19.3546  -19.3546       -0.9361   -0.9361       -0.6977   -0.6977
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0196    0.0000        0.9504    0.9303        1.1199    1.2481
 2     -1.1042   -0.9303        9.5857    9.6584        7.3734    7.3551
 3     -1.2555   -1.2481      -33.1856  -33.1613       -9.5581   -9.6584
 4     -9.5882   -9.6584       -0.0282    0.0000       -1.3770   -1.2481
 5     25.8383   25.8062        1.1693    1.2481        1.0409    0.9303
 6      9.5966    9.6584       -0.8974   -0.9303        0.1414    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0126    0.0000       13.8872   13.7995       -7.5985   -7.4735
 2    -13.9082  -13.7995      -27.9981  -28.1277      -32.9131  -33.1080
 3      7.5750    7.4735      -30.3095  -30.4428       28.0234   28.1277
 4     28.2189   28.1277       -0.0260    0.0000        7.5417    7.4735
 5     63.6002   63.5509       -7.3213   -7.4735       13.8986   13.7995
 6    -28.1881  -28.1277      -13.8093  -13.7995       -0.2107    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     23.6021   23.5182       41.5761   41.7963       -4.5206   -4.7770
 2     57.4173   57.2529       60.5100   60.7133       -4.4280   -4.7770
 3     57.4285   57.2529       41.5612   41.7963       -6.8376   -7.1970
 4    -19.0203  -18.9170      -33.5991  -33.7347      -39.7758  -39.9054
 5     -2.4124   -2.4200      -23.6514  -23.6540       33.4534   33.7347
 6     63.6694   63.5594        2.6005    2.4200       19.1318   18.9170
 Full mass-weighted force constant matrix:
 Low frequencies ---   -5.9800   -0.0005    0.0001    0.0005    5.6420    9.5001
 Low frequencies ---  124.3867  182.0856  195.0144
 Diagonal vibrational polarizability:
        1.7543591       1.9093594       3.3530616
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   20491.80
                      1                      2                      3
                      A                      A                      A
 Frequencies --    124.3849               182.0848               195.0142
 Red. masses --      2.6490                 1.0304                 1.8429
 Frc consts  --      0.0241                 0.0201                 0.0413
 IR Inten    --      0.9979                 0.0619                 0.0468
 RamAct Fr= 1--      1.9194                 0.0743                 0.7647
  Dep-P Fr= 1--      0.7438                 0.7182                 0.7425
  Dep-U Fr= 1--      0.8531                 0.8360                 0.8522
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0001
 Beta2  Fr= 1--      0.2729                 0.0104                 0.1086
 AlphaG Fr= 1--     -0.0067                -0.0001                 0.0002
 Gamma2 Fr= 1--     -0.1011                -0.0390                 0.3445
 Delta2 Fr= 1--     -0.1007                 0.0144                -0.0144
 Raman1 Fr= 1--       7.678                  0.297                  3.059
 ROA1   Fr= 1--     -12.932                 -3.284                 32.615
 CID1   Fr= 1--      -1.684                -11.045                 10.662
 Raman2 Fr= 1--       3.275                  0.124                  1.303
 ROA2   Fr= 1--      -1.621                 -1.051                  8.384
 CID2   Fr= 1--      -0.495                 -8.457                  6.432
 Raman3 Fr= 1--       6.550                  0.249                  2.607
 ROA3   Fr= 1--     -12.932                 -3.284                 32.615
 CID3   Fr= 1--      -1.975                -13.212                 12.511
 RC180  Fr= 1--       0.706                  0.672                  0.704
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.04  -0.07    -0.00  -0.01   0.01     0.00   0.03  -0.03
     2   6     0.01   0.05  -0.04     0.01   0.01  -0.01    -0.01   0.01  -0.01
     3   6    -0.01   0.03  -0.05    -0.01  -0.01   0.01     0.00   0.01   0.02
     4   6    -0.12  -0.10   0.21    -0.00  -0.00  -0.02     0.06   0.07   0.03
     5   6     0.00   0.07  -0.09    -0.01  -0.00   0.01    -0.00  -0.05   0.03
     6   6     0.04  -0.01  -0.02    -0.00   0.01   0.00    -0.01  -0.02   0.00
     7   6    -0.02   0.02   0.03     0.00   0.01  -0.00     0.02  -0.02  -0.01
     8   6    -0.06   0.08  -0.01     0.00  -0.00   0.00     0.02  -0.06  -0.00
     9   1    -0.02  -0.00   0.01    -0.00  -0.01   0.01     0.02   0.07  -0.10
    10   1    -0.03   0.04  -0.07     0.02  -0.01  -0.04    -0.03   0.02  -0.01
    11   1     0.06   0.05  -0.03     0.00   0.05  -0.02    -0.01  -0.01  -0.01
    12   1    -0.13  -0.14   0.25    -0.02  -0.03   0.03     0.15   0.30  -0.29
    13   1    -0.05  -0.33   0.29     0.02   0.07  -0.03    -0.16  -0.22   0.05
    14   1    -0.30   0.02   0.35    -0.01  -0.03  -0.09     0.26   0.19   0.39
    15   1     0.01   0.09  -0.13    -0.01  -0.00   0.01     0.02  -0.06   0.05
    16   6     0.15  -0.11  -0.05     0.01  -0.02  -0.00     0.01  -0.14  -0.03
    17   6     0.03  -0.02   0.03    -0.00   0.01   0.00    -0.10   0.16   0.01
    18   1    -0.05  -0.01   0.09     0.01   0.01  -0.01     0.01  -0.03  -0.04
    19   1    -0.08   0.08   0.00     0.00   0.00   0.00     0.02  -0.06  -0.00
    20   1    -0.10   0.13  -0.02     0.01  -0.01   0.00     0.03  -0.09  -0.01
    21   1     0.13  -0.03  -0.07    -0.17   0.33   0.11     0.01  -0.17  -0.02
    22   1     0.28  -0.12  -0.14     0.45  -0.05  -0.08     0.03  -0.15  -0.15
    23   1     0.12  -0.25   0.03    -0.22  -0.40  -0.05     0.01  -0.22   0.04
    24   1    -0.05   0.04   0.05     0.17  -0.30  -0.09    -0.12   0.25   0.04
    25   1     0.05  -0.10   0.11    -0.03   0.29  -0.24    -0.01   0.25   0.08
    26   1     0.08  -0.03  -0.04    -0.15   0.05   0.34    -0.25   0.15  -0.05
                      4                      5                      6
                      A                      A                      A
 Frequencies --    204.2232               225.1366               264.2680
 Red. masses --      1.2526                 1.1172                 2.8534
 Frc consts  --      0.0308                 0.0334                 0.1174
 IR Inten    --      0.1289                 0.1561                 0.0331
 RamAct Fr= 1--      0.3087                 0.2903                 1.8562
  Dep-P Fr= 1--      0.7500                 0.7480                 0.5880
  Dep-U Fr= 1--      0.8571                 0.8559                 0.7405
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0056
 Beta2  Fr= 1--      0.0441                 0.0414                 0.2291
 AlphaG Fr= 1--      0.0001                -0.0011                 0.0005
 Gamma2 Fr= 1--     -0.3072                 0.2908                 0.1940
 Delta2 Fr= 1--      0.0668                 0.0103                 0.0243
 Raman1 Fr= 1--       1.235                  1.161                  7.425
 ROA1   Fr= 1--     -27.350                 28.248                 19.404
 CID1   Fr= 1--     -22.148                 24.328                  2.613
 Raman2 Fr= 1--       0.529                  0.497                  2.749
 ROA2   Fr= 1--      -7.906                  6.898                  4.462
 CID2   Fr= 1--     -14.939                 13.882                  1.623
 Raman3 Fr= 1--       1.058                  0.994                  5.498
 ROA3   Fr= 1--     -27.350                 28.248                 19.404
 CID3   Fr= 1--     -25.839                 28.425                  3.529
 RC180  Fr= 1--       0.714                  0.712                  0.481
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00   0.01    -0.01  -0.00  -0.01    -0.12  -0.10   0.17
     2   6    -0.01   0.01  -0.03    -0.02  -0.02   0.03    -0.09  -0.06   0.08
     3   6    -0.01  -0.00   0.02     0.01   0.01  -0.03    -0.04  -0.03   0.01
     4   6     0.03   0.03   0.02     0.01   0.01   0.03    -0.01   0.01  -0.02
     5   6     0.00  -0.02  -0.01     0.01   0.00  -0.04     0.01  -0.00  -0.08
     6   6     0.00  -0.01  -0.00     0.01  -0.03  -0.01     0.02   0.03  -0.06
     7   6     0.01  -0.01  -0.02    -0.01  -0.02   0.01     0.00   0.01  -0.11
     8   6     0.00  -0.04  -0.02    -0.01   0.02  -0.01     0.07   0.01  -0.08
     9   1    -0.03  -0.01   0.04    -0.02  -0.01   0.01    -0.17  -0.15   0.29
    10   1     0.01  -0.01  -0.06    -0.05   0.00   0.08     0.02  -0.04   0.20
    11   1    -0.03   0.04  -0.04    -0.02  -0.08   0.04    -0.25  -0.14   0.04
    12   1    -0.15  -0.13   0.46    -0.02   0.02   0.08     0.06   0.11  -0.21
    13   1     0.39   0.44   0.02     0.07  -0.01   0.05    -0.16  -0.12  -0.03
    14   1    -0.11  -0.15  -0.44    -0.02   0.02   0.03     0.11   0.06   0.16
    15   1     0.01  -0.03   0.00     0.03   0.02  -0.07     0.01  -0.00  -0.08
    16   6     0.04  -0.05  -0.02     0.03   0.00  -0.01     0.17   0.12  -0.05
    17   6    -0.05   0.08   0.04    -0.02   0.02   0.02    -0.03   0.01   0.11
    18   1    -0.00  -0.02  -0.04    -0.02  -0.04   0.03    -0.00   0.00  -0.17
    19   1     0.00  -0.04  -0.01    -0.02   0.03   0.00     0.08   0.01  -0.10
    20   1     0.00  -0.04  -0.03    -0.03   0.04  -0.01     0.09  -0.01  -0.07
    21   1     0.07  -0.09  -0.04     0.17  -0.26  -0.11     0.15   0.24  -0.12
    22   1     0.02  -0.05  -0.06    -0.31   0.03   0.06     0.31   0.12  -0.00
    23   1     0.08  -0.05   0.03     0.21   0.30   0.03     0.15   0.04  -0.01
    24   1    -0.14   0.19   0.08     0.17  -0.34  -0.09    -0.19   0.06   0.15
    25   1     0.02   0.06   0.16    -0.02   0.38  -0.25     0.05  -0.02   0.26
    26   1    -0.09   0.06  -0.06    -0.24   0.07   0.42    -0.00   0.01   0.08
                      7                      8                      9
                      A                      A                      A
 Frequencies --    307.1169               336.7965               390.9425
 Red. masses --      2.3115                 1.8960                 2.2632
 Frc consts  --      0.1285                 0.1267                 0.2038
 IR Inten    --      0.8534                 1.1205                 0.1308
 RamAct Fr= 1--      1.3644                 0.2543                 1.2357
  Dep-P Fr= 1--      0.6918                 0.6128                 0.7378
  Dep-U Fr= 1--      0.8178                 0.7599                 0.8491
 Alpha2 Fr= 1--      0.0014                 0.0006                 0.0003
 Beta2  Fr= 1--      0.1860                 0.0322                 0.1749
 AlphaG Fr= 1--      0.0177                -0.0075                -0.0011
 Gamma2 Fr= 1--     -0.0040                -0.1007                -0.8940
 Delta2 Fr= 1--      0.0646                 0.0117                -0.0827
 Raman1 Fr= 1--       5.458                  1.017                  4.943
 ROA1   Fr= 1--       1.684                 -9.295                -88.475
 CID1   Fr= 1--       0.308                 -9.136                -17.900
 Raman2 Fr= 1--       2.232                  0.387                  2.099
 ROA2   Fr= 1--      -0.613                 -2.511                -20.795
 CID2   Fr= 1--      -0.275                 -6.496                 -9.909
 Raman3 Fr= 1--       4.463                  0.773                  4.197
 ROA3   Fr= 1--       1.684                 -9.295                -88.475
 CID3   Fr= 1--       0.377                -12.023                -21.080
 RC180  Fr= 1--       0.636                  0.520                  0.698
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.07  -0.09    -0.05  -0.11   0.13    -0.03   0.01   0.07
     2   6     0.03  -0.09   0.05     0.08   0.06  -0.12    -0.07  -0.01  -0.04
     3   6     0.03  -0.06  -0.11    -0.03  -0.05   0.01     0.08   0.06  -0.04
     4   6     0.16   0.05   0.11     0.06   0.04   0.01    -0.02  -0.06  -0.04
     5   6    -0.02  -0.01  -0.08    -0.02   0.03  -0.04     0.11   0.01  -0.06
     6   6    -0.02  -0.01  -0.02     0.00   0.01   0.01     0.10  -0.10   0.01
     7   6    -0.02  -0.01   0.04    -0.01   0.03   0.03    -0.05  -0.12   0.05
     8   6    -0.08   0.06   0.00    -0.07   0.05   0.00    -0.06  -0.01   0.01
     9   1     0.03  -0.10  -0.08    -0.08  -0.20   0.25    -0.10   0.02   0.21
    10   1    -0.00  -0.04   0.15     0.26  -0.14  -0.47    -0.09  -0.08  -0.20
    11   1     0.09  -0.22   0.09     0.11   0.47  -0.20    -0.06   0.15  -0.07
    12   1     0.00   0.25   0.24     0.05   0.20  -0.08     0.06  -0.19  -0.07
    13   1     0.40  -0.02   0.19     0.03   0.02   0.01    -0.09  -0.12  -0.04
    14   1     0.24   0.05   0.17     0.24   0.03   0.09    -0.15  -0.00  -0.01
    15   1    -0.08   0.03  -0.15    -0.06   0.04  -0.07     0.19   0.04  -0.11
    16   6    -0.07   0.10   0.00    -0.01  -0.04  -0.00    -0.03   0.05   0.07
    17   6    -0.05   0.00   0.02     0.02  -0.03   0.01     0.03   0.12  -0.03
    18   1     0.00   0.02   0.12    -0.00   0.04   0.08    -0.13  -0.23   0.15
    19   1    -0.11   0.08   0.04    -0.09   0.04   0.02    -0.05  -0.07   0.01
    20   1    -0.11   0.09  -0.02    -0.10   0.07  -0.02    -0.15   0.11   0.00
    21   1    -0.18   0.33   0.07     0.03  -0.16  -0.00    -0.13   0.22   0.16
    22   1     0.14   0.10   0.10    -0.14  -0.04  -0.03     0.03   0.07   0.25
    23   1    -0.21  -0.01  -0.12     0.04   0.04   0.02    -0.16   0.09  -0.14
    24   1    -0.13   0.08   0.04     0.03  -0.09  -0.01     0.04   0.32   0.01
    25   1    -0.02  -0.05   0.11    -0.01  -0.03  -0.03     0.13   0.23   0.04
    26   1    -0.02  -0.01  -0.06     0.06  -0.02   0.06    -0.20   0.11  -0.18
                     10                     11                     12
                      A                      A                      A
 Frequencies --    397.1011               430.4228               467.2026
 Red. masses --      2.4370                 2.2223                 2.9458
 Frc consts  --      0.2264                 0.2426                 0.3788
 IR Inten    --      0.2618                 1.0229                 0.1932
 RamAct Fr= 1--      1.7197                 0.8723                 2.2622
  Dep-P Fr= 1--      0.1366                 0.6845                 0.3843
  Dep-U Fr= 1--      0.2404                 0.8127                 0.5552
 Alpha2 Fr= 1--      0.0275                 0.0010                 0.0177
 Beta2  Fr= 1--      0.0689                 0.1182                 0.2093
 AlphaG Fr= 1--      0.0386                -0.0051                 0.0109
 Gamma2 Fr= 1--     -0.0217                -0.2878                -0.0497
 Delta2 Fr= 1--      0.0203                 0.0066                -0.1280
 Raman1 Fr= 1--       6.879                  3.489                  9.049
 ROA1   Fr= 1--      -1.433                -27.416                 -8.863
 CID1   Fr= 1--      -0.208                 -7.857                 -0.979
 Raman2 Fr= 1--       0.827                  1.418                  2.512
 ROA2   Fr= 1--      -0.683                 -6.959                 -0.168
 CID2   Fr= 1--      -0.826                 -4.908                 -0.067
 Raman3 Fr= 1--       1.654                  2.836                  5.024
 ROA3   Fr= 1--      -1.433                -27.416                 -8.863
 CID3   Fr= 1--      -0.867                 -9.668                 -1.764
 RC180  Fr= 1--      -0.519                  0.625                  0.110
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.05   0.04    -0.01   0.02  -0.08    -0.13  -0.05  -0.08
     2   6     0.04   0.01   0.00    -0.04   0.02  -0.07    -0.06   0.03  -0.01
     3   6     0.07   0.07  -0.00    -0.00  -0.06   0.06    -0.09  -0.03  -0.12
     4   6    -0.01  -0.02  -0.02     0.03  -0.04  -0.01    -0.05   0.04   0.00
     5   6     0.08   0.06  -0.05     0.01   0.00  -0.01    -0.05  -0.05  -0.07
     6   6     0.01  -0.01  -0.06    -0.05  -0.07  -0.02     0.12   0.03   0.08
     7   6     0.05   0.01  -0.05    -0.07  -0.05   0.04     0.03   0.01  -0.03
     8   6     0.03   0.03  -0.05     0.17   0.13   0.09     0.12   0.04  -0.03
     9   1     0.04   0.04   0.10    -0.00   0.10  -0.16    -0.12  -0.13  -0.05
    10   1     0.02   0.03   0.02    -0.09  -0.06  -0.27    -0.02   0.05   0.07
    11   1    -0.01  -0.01  -0.01     0.09   0.19  -0.07    -0.07  -0.06   0.01
    12   1     0.05  -0.13  -0.04     0.05  -0.03  -0.05    -0.12   0.15   0.06
    13   1    -0.06  -0.06  -0.02    -0.02   0.03  -0.04     0.07  -0.02   0.05
    14   1    -0.11   0.01  -0.01     0.09  -0.07  -0.05    -0.02   0.06   0.05
    15   1     0.16   0.07  -0.08     0.02   0.07  -0.13    -0.15  -0.05  -0.05
    16   6    -0.17  -0.06  -0.06     0.02   0.03  -0.01    -0.08  -0.07   0.12
    17   6    -0.07  -0.08   0.19    -0.10  -0.04   0.04     0.18   0.06   0.09
    18   1     0.06   0.03  -0.05    -0.09  -0.08   0.01    -0.03  -0.07  -0.09
    19   1    -0.01  -0.04   0.01     0.37   0.26  -0.17     0.21   0.24  -0.20
    20   1    -0.02   0.05  -0.11     0.31   0.22   0.43     0.29  -0.02   0.18
    21   1    -0.25  -0.11   0.15     0.04   0.10  -0.09    -0.16  -0.17   0.37
    22   1    -0.25  -0.06  -0.12     0.06   0.04   0.11    -0.20  -0.08   0.01
    23   1    -0.28  -0.07  -0.20     0.05   0.07  -0.01    -0.19  -0.09  -0.03
    24   1    -0.34  -0.19   0.21    -0.12  -0.01   0.04     0.23   0.07   0.08
    25   1     0.06  -0.04   0.37    -0.05   0.00   0.08     0.15   0.04   0.06
    26   1    -0.02  -0.06   0.34    -0.15  -0.04   0.03     0.19   0.05   0.07
                     13                     14                     15
                      A                      A                      A
 Frequencies --    489.6757               578.3572               629.1329
 Red. masses --      3.7393                 3.0073                 3.6147
 Frc consts  --      0.5283                 0.5927                 0.8430
 IR Inten    --      0.4536                 1.4831                 0.8058
 RamAct Fr= 1--      2.1021                 4.9151                 2.5667
  Dep-P Fr= 1--      0.4761                 0.1394                 0.5040
  Dep-U Fr= 1--      0.6451                 0.2447                 0.6702
 Alpha2 Fr= 1--      0.0116                 0.0780                 0.0124
 Beta2  Fr= 1--      0.2260                 0.2005                 0.2867
 AlphaG Fr= 1--     -0.0231                -0.0172                 0.0049
 Gamma2 Fr= 1--      0.5737                -0.9039                 1.0346
 Delta2 Fr= 1--      0.1169                -0.5707                 0.7944
 Raman1 Fr= 1--       8.408                 19.660                 10.267
 ROA1   Fr= 1--      58.817               -105.037                124.739
 CID1   Fr= 1--       6.995                 -5.343                 12.150
 Raman2 Fr= 1--       2.712                  2.405                  3.440
 ROA2   Fr= 1--      12.834                -17.128                 18.474
 CID2   Fr= 1--       4.733                 -7.121                  5.370
 Raman3 Fr= 1--       5.424                  4.811                  6.881
 ROA3   Fr= 1--      58.817               -105.037                124.739
 CID3   Fr= 1--      10.844                -21.833                 18.129
 RC180  Fr= 1--       0.290                 -0.511                  0.340
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.03    -0.02   0.02  -0.09     0.13   0.01   0.00
     2   6    -0.15  -0.06  -0.07    -0.01   0.02   0.00     0.07  -0.16  -0.09
     3   6     0.16  -0.07   0.03    -0.11  -0.14   0.24    -0.06  -0.03   0.17
     4   6     0.18  -0.18  -0.02    -0.02  -0.01   0.02    -0.07   0.07   0.03
     5   6     0.05   0.10   0.10     0.02  -0.02  -0.02     0.00   0.13  -0.06
     6   6    -0.02   0.16   0.05     0.12  -0.01  -0.09    -0.03  -0.05   0.06
     7   6    -0.18   0.09  -0.10    -0.01  -0.01   0.05     0.01  -0.05  -0.13
     8   6    -0.06   0.05  -0.01    -0.08   0.02   0.01    -0.04   0.11  -0.17
     9   1    -0.13   0.17   0.03     0.05   0.09  -0.26     0.12   0.03   0.01
    10   1    -0.09  -0.01   0.08    -0.09   0.07   0.08    -0.02  -0.03   0.14
    11   1    -0.18  -0.19  -0.06     0.05  -0.10   0.04    -0.06  -0.39  -0.08
    12   1     0.22  -0.25  -0.04     0.03   0.09  -0.13    -0.04   0.15  -0.08
    13   1     0.14  -0.17  -0.03    -0.21   0.26  -0.09    -0.20   0.25  -0.05
    14   1     0.15  -0.18  -0.03     0.29  -0.17  -0.10     0.16  -0.04  -0.05
    15   1    -0.12   0.09   0.12     0.02  -0.00  -0.05     0.10   0.16  -0.11
    16   6    -0.02  -0.05   0.02    -0.01   0.03  -0.15     0.02  -0.05   0.22
    17   6     0.07   0.05   0.03     0.14   0.06   0.05    -0.03  -0.01  -0.02
    18   1    -0.16   0.11  -0.11    -0.08  -0.11   0.16     0.08   0.06   0.01
    19   1     0.05  -0.14  -0.06    -0.17  -0.07   0.14     0.04   0.02  -0.23
    20   1    -0.11   0.15   0.02    -0.20   0.07  -0.12    -0.06   0.21  -0.10
    21   1     0.03  -0.24   0.07    -0.08   0.02   0.00     0.02  -0.05   0.22
    22   1    -0.08  -0.08  -0.28    -0.10   0.04  -0.10     0.02  -0.05   0.24
    23   1     0.03  -0.16   0.17    -0.10   0.10  -0.33     0.02  -0.06   0.22
    24   1     0.10   0.01   0.02    -0.01   0.01   0.07     0.11   0.09  -0.02
    25   1     0.02   0.02  -0.02     0.24   0.11   0.15    -0.08   0.01  -0.10
    26   1     0.13   0.06   0.07     0.12   0.06   0.11    -0.13  -0.02  -0.13
                     16                     17                     18
                      A                      A                      A
 Frequencies --    677.5980               784.1203               809.7346
 Red. masses --      3.2757                 2.5695                 1.2012
 Frc consts  --      0.8861                 0.9308                 0.4640
 IR Inten    --      0.0523                 3.0092                13.7459
 RamAct Fr= 1--     17.4248                 6.3372                 0.6829
  Dep-P Fr= 1--      0.0112                 0.1552                 0.6178
  Dep-U Fr= 1--      0.0221                 0.2687                 0.7638
 Alpha2 Fr= 1--      0.3772                 0.0967                 0.0017
 Beta2  Fr= 1--      0.0642                 0.2838                 0.0869
 AlphaG Fr= 1--      0.0807                 0.0564                -0.0475
 Gamma2 Fr= 1--      0.6759                 2.3683                -2.4358
 Delta2 Fr= 1--      0.2277                -0.1529                -1.2122
 Raman1 Fr= 1--      69.699                 25.349                  2.732
 ROA1   Fr= 1--      72.171                222.463               -272.626
 CID1   Fr= 1--       1.035                  8.776                -99.797
 Raman2 Fr= 1--       0.770                  3.405                  1.043
 ROA2   Fr= 1--      14.399                 58.062                -48.761
 CID2   Fr= 1--      18.694                 17.052                -46.740
 Raman3 Fr= 1--       1.541                  6.810                  2.086
 ROA3   Fr= 1--      72.171                222.463               -272.626
 CID3   Fr= 1--      46.849                 32.666               -130.666
 RC180  Fr= 1--      -0.956                 -0.463                  0.528
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.10   0.04  -0.04    -0.07  -0.06  -0.09     0.05   0.05  -0.05
     2   6    -0.03   0.25   0.07     0.01  -0.06  -0.07     0.02   0.04  -0.04
     3   6    -0.01  -0.07   0.06    -0.02  -0.04  -0.03     0.00   0.01   0.00
     4   6     0.11  -0.13  -0.00    -0.10   0.07   0.00     0.00  -0.01   0.02
     5   6     0.03  -0.04  -0.13     0.19   0.06  -0.01    -0.02  -0.02  -0.01
     6   6     0.01  -0.08   0.01    -0.01   0.02   0.01    -0.01   0.02   0.01
     7   6     0.09   0.12  -0.03    -0.01   0.08  -0.02    -0.02  -0.03   0.03
     8   6    -0.00   0.00  -0.02     0.07  -0.05   0.21    -0.01  -0.03  -0.00
     9   1    -0.10  -0.02   0.01    -0.17  -0.18   0.17    -0.23  -0.36   0.74
    10   1     0.01   0.32   0.24     0.07  -0.02   0.06    -0.16   0.16   0.13
    11   1    -0.06   0.06   0.10     0.09  -0.18  -0.02     0.10  -0.20   0.03
    12   1     0.16  -0.13  -0.08    -0.12   0.15  -0.02     0.05   0.02  -0.09
    13   1     0.01  -0.02  -0.05    -0.10   0.10  -0.01    -0.08   0.11  -0.04
    14   1     0.21  -0.18  -0.06    -0.04   0.05  -0.01     0.13  -0.08  -0.05
    15   1     0.06   0.03  -0.26     0.22   0.20  -0.27    -0.03  -0.04   0.03
    16   6     0.02  -0.04   0.15    -0.00   0.00   0.03    -0.01   0.01  -0.03
    17   6    -0.10  -0.05  -0.05    -0.02  -0.00  -0.02    -0.00   0.01   0.01
    18   1     0.03   0.03  -0.19     0.05   0.15  -0.20    -0.05  -0.06   0.09
    19   1    -0.20   0.01   0.19    -0.01  -0.43   0.41     0.08   0.06  -0.12
    20   1    -0.09  -0.09  -0.29    -0.19   0.05  -0.11     0.08  -0.04   0.14
    21   1     0.00   0.04   0.13     0.01  -0.02   0.01     0.00   0.00  -0.04
    22   1     0.03  -0.03   0.31     0.02  -0.01  -0.03     0.01   0.01  -0.06
    23   1     0.01   0.03   0.07     0.02  -0.04   0.08     0.01  -0.01   0.01
    24   1    -0.04  -0.01  -0.05    -0.07  -0.01  -0.01     0.02  -0.01  -0.00
    25   1    -0.12  -0.05  -0.09    -0.00   0.01  -0.00    -0.04  -0.03  -0.02
    26   1    -0.15  -0.06  -0.11    -0.04   0.00   0.00     0.05   0.01   0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    829.6739               853.3449               900.6156
 Red. masses --      2.3046                 2.5309                 2.4746
 Frc consts  --      0.9347                 1.0859                 1.1826
 IR Inten    --      0.1607                 0.7871                 3.2586
 RamAct Fr= 1--      3.9100                 7.7955                 2.2495
  Dep-P Fr= 1--      0.7472                 0.4147                 0.5649
  Dep-U Fr= 1--      0.8553                 0.5863                 0.7220
 Alpha2 Fr= 1--      0.0002                 0.0547                 0.0079
 Beta2  Fr= 1--      0.5574                 0.7617                 0.2707
 AlphaG Fr= 1--     -0.0052                 0.0334                 0.0308
 Gamma2 Fr= 1--     -1.0511                -0.3256                -2.1067
 Delta2 Fr= 1--      0.4856                 0.3167                -0.3868
 Raman1 Fr= 1--      15.640                 31.182                  8.998
 ROA1   Fr= 1--     -85.371                -21.122               -214.623
 CID1   Fr= 1--      -5.458                 -0.677                -23.852
 Raman2 Fr= 1--       6.689                  9.140                  3.248
 ROA2   Fr= 1--     -29.112                -10.347                -47.466
 CID2   Fr= 1--      -4.352                 -1.132                -14.613
 Raman3 Fr= 1--      13.378                 18.281                  6.496
 ROA3   Fr= 1--     -85.371                -21.122               -214.623
 CID3   Fr= 1--      -6.382                 -1.155                -33.038
 RC180  Fr= 1--       0.711                  0.173                  0.444
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.05  -0.01    -0.05   0.04   0.01    -0.13   0.00  -0.11
     2   6    -0.06  -0.07   0.00    -0.03  -0.09  -0.13    -0.02  -0.07   0.02
     3   6     0.00   0.01   0.04     0.04   0.04   0.00     0.00  -0.01  -0.01
     4   6     0.02  -0.01   0.01     0.02   0.00   0.01     0.00  -0.01  -0.00
     5   6     0.03  -0.04  -0.14    -0.08  -0.09   0.08     0.00   0.10   0.15
     6   6    -0.08   0.14   0.04     0.03  -0.07  -0.01     0.07   0.01  -0.03
     7   6     0.13  -0.13   0.09     0.18   0.02  -0.08     0.07   0.01   0.11
     8   6     0.04  -0.01  -0.01    -0.06   0.13   0.13     0.09   0.05  -0.15
     9   1    -0.06   0.15  -0.04    -0.18   0.11   0.20    -0.30  -0.03   0.22
    10   1    -0.22  -0.14  -0.24    -0.06   0.00   0.05    -0.03  -0.15  -0.17
    11   1    -0.04   0.13  -0.03    -0.23  -0.26  -0.15     0.20   0.10   0.05
    12   1     0.09  -0.10  -0.04     0.09  -0.12  -0.02    -0.01   0.03  -0.01
    13   1    -0.09   0.03  -0.03    -0.05  -0.01  -0.01     0.02   0.00  -0.00
    14   1    -0.00  -0.03  -0.04    -0.09   0.02  -0.02     0.03  -0.02  -0.00
    15   1     0.06  -0.02  -0.19    -0.11  -0.11   0.12    -0.09  -0.02   0.39
    16   6    -0.03   0.04   0.02     0.01  -0.01  -0.03     0.03  -0.01   0.02
    17   6    -0.02   0.05   0.01     0.01  -0.01  -0.00    -0.06  -0.04  -0.06
    18   1     0.17  -0.09   0.08     0.28   0.15  -0.19     0.05  -0.01   0.31
    19   1    -0.17   0.13   0.18    -0.28   0.45   0.28    -0.10  -0.10   0.09
    20   1    -0.06   0.01  -0.16    -0.07   0.08   0.07     0.02  -0.08  -0.43
    21   1     0.05  -0.09  -0.03    -0.02   0.04  -0.02    -0.02  -0.01   0.13
    22   1     0.03   0.00  -0.28    -0.00   0.00   0.10    -0.03  -0.00   0.08
    23   1     0.05  -0.15   0.28    -0.02   0.06  -0.12    -0.02   0.03  -0.08
    24   1     0.06  -0.13  -0.03    -0.01   0.01   0.00    -0.26  -0.08  -0.04
    25   1    -0.24  -0.23  -0.11     0.05   0.03   0.03     0.07   0.04   0.08
    26   1     0.37   0.05   0.07    -0.06  -0.02  -0.02    -0.12  -0.03   0.03
                     22                     23                     24
                      A                      A                      A
 Frequencies --    922.5495               942.0762               955.2480
 Red. masses --      2.1860                 1.8985                 1.5453
 Frc consts  --      1.0962                 0.9927                 0.8308
 IR Inten    --      0.5143                 1.5823                 0.3783
 RamAct Fr= 1--      5.2213                 2.0321                 4.5429
  Dep-P Fr= 1--      0.1632                 0.7497                 0.6158
  Dep-U Fr= 1--      0.2806                 0.8569                 0.7622
 Alpha2 Fr= 1--      0.0780                 0.0000                 0.0112
 Beta2  Fr= 1--      0.2442                 0.2902                 0.5771
 AlphaG Fr= 1--     -0.0283                -0.0003                -0.0181
 Gamma2 Fr= 1--      0.3544                 1.8510                -0.6388
 Delta2 Fr= 1--      0.4183                -0.0883                 0.5304
 Raman1 Fr= 1--      20.885                  8.128                 18.171
 ROA1   Fr= 1--      47.408                174.871                -44.356
 CID1   Fr= 1--       2.270                 21.514                 -2.441
 Raman2 Fr= 1--       2.930                  3.483                  6.925
 ROA2   Fr= 1--       5.159                 45.130                -19.575
 CID2   Fr= 1--       1.760                 12.958                 -2.827
 Raman3 Fr= 1--       5.861                  6.965                 13.851
 ROA3   Fr= 1--      47.408                174.871                -44.356
 CID3   Fr= 1--       8.089                 25.106                 -3.202
 RC180  Fr= 1--      -0.439                  0.714                  0.524
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.07   0.05   0.00    -0.10   0.03  -0.01     0.00  -0.01   0.03
     2   6    -0.06  -0.04   0.02     0.06  -0.10  -0.03    -0.01   0.01  -0.04
     3   6    -0.03   0.02  -0.00     0.05   0.04   0.05    -0.01   0.00  -0.00
     4   6     0.03  -0.06  -0.02     0.04   0.04   0.04    -0.00  -0.02  -0.01
     5   6    -0.14   0.17  -0.02    -0.05  -0.00  -0.09    -0.03   0.06  -0.01
     6   6    -0.06  -0.08   0.02    -0.01  -0.02  -0.01     0.08   0.03   0.06
     7   6     0.03  -0.01   0.00    -0.05   0.12   0.06     0.03  -0.02   0.02
     8   6     0.08  -0.06   0.04    -0.01  -0.09  -0.01     0.01  -0.03   0.03
     9   1     0.01   0.00   0.16    -0.20   0.30  -0.02     0.04   0.06  -0.08
    10   1    -0.19  -0.10  -0.20     0.25  -0.11   0.05    -0.05   0.07   0.07
    11   1    -0.06   0.15  -0.02     0.24  -0.10   0.03    -0.10  -0.12  -0.04
    12   1    -0.07   0.13   0.02     0.25  -0.31  -0.07    -0.04   0.06   0.02
    13   1     0.18  -0.04   0.02    -0.24   0.05  -0.04     0.07  -0.02   0.01
    14   1     0.19  -0.08   0.04    -0.18   0.04  -0.09     0.05  -0.02   0.02
    15   1    -0.15   0.28  -0.24    -0.03   0.04  -0.19    -0.06   0.08  -0.06
    16   6    -0.02  -0.04  -0.05     0.01  -0.03  -0.01     0.09   0.05  -0.06
    17   6     0.09   0.02   0.05     0.01   0.01   0.02    -0.10  -0.05   0.03
    18   1     0.12   0.10  -0.19     0.04   0.24   0.19    -0.01  -0.06   0.10
    19   1    -0.06  -0.14   0.22     0.11   0.03  -0.18     0.04  -0.07   0.00
    20   1     0.07  -0.30  -0.24     0.20  -0.27   0.11     0.03  -0.06   0.04
    21   1    -0.02   0.13  -0.19    -0.03   0.06   0.01    -0.08  -0.14   0.46
    22   1     0.03  -0.00   0.23    -0.01  -0.00   0.17    -0.22   0.03  -0.28
    23   1     0.02   0.11  -0.11    -0.02   0.08  -0.13    -0.17   0.00  -0.40
    24   1     0.20   0.12   0.06     0.10   0.02   0.01     0.26   0.10  -0.00
    25   1     0.08   0.08  -0.01    -0.04  -0.02  -0.04    -0.30  -0.10  -0.24
    26   1    -0.02   0.01  -0.04     0.04   0.00  -0.01    -0.13  -0.07  -0.21
                     25                     26                     27
                      A                      A                      A
 Frequencies --    975.4039               976.4729              1023.2539
 Red. masses --      1.5663                 2.1247                 1.3869
 Frc consts  --      0.8780                 1.1936                 0.8556
 IR Inten    --      1.4656                 2.7724                 0.4239
 RamAct Fr= 1--      4.3799                 2.7169                 1.2825
  Dep-P Fr= 1--      0.4149                 0.7230                 0.6329
  Dep-U Fr= 1--      0.5865                 0.8392                 0.7752
 Alpha2 Fr= 1--      0.0307                 0.0013                 0.0027
 Beta2  Fr= 1--      0.4281                 0.3800                 0.1657
 AlphaG Fr= 1--     -0.0292                 0.0067                -0.0250
 Gamma2 Fr= 1--      2.0296                 0.2017                 0.2315
 Delta2 Fr= 1--      0.9256                -0.9632                -0.1110
 Raman1 Fr= 1--      17.519                 10.868                  5.130
 ROA1   Fr= 1--     224.463                -11.460                 18.676
 CID1   Fr= 1--      12.812                 -1.054                  3.641
 Raman2 Fr= 1--       5.138                  4.560                  1.988
 ROA2   Fr= 1--      41.307                 12.546                  6.445
 CID2   Fr= 1--       8.040                  2.751                  3.241
 Raman3 Fr= 1--      10.275                  9.121                  3.977
 ROA3   Fr= 1--     224.463                -11.460                 18.676
 CID3   Fr= 1--      21.845                 -1.256                  4.696
 RC180  Fr= 1--       0.173                  0.678                  0.550
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.06   0.02  -0.07    -0.12  -0.02  -0.03     0.04  -0.02  -0.02
     2   6    -0.03  -0.05   0.12     0.06   0.04   0.01    -0.03  -0.00   0.02
     3   6     0.02  -0.01   0.02    -0.00  -0.01  -0.01     0.02  -0.02   0.01
     4   6    -0.01   0.03   0.03     0.01   0.00  -0.00    -0.00   0.03  -0.01
     5   6     0.01  -0.07  -0.02     0.07   0.02   0.06     0.02  -0.04   0.03
     6   6     0.00  -0.00  -0.00    -0.09  -0.08   0.11    -0.02  -0.00  -0.00
     7   6    -0.06   0.04  -0.05     0.04  -0.04  -0.01    -0.03   0.02  -0.02
     8   6    -0.00   0.03  -0.00    -0.00   0.06  -0.08     0.02   0.04  -0.02
     9   1    -0.02  -0.13   0.20    -0.10  -0.03  -0.06     0.03  -0.11   0.07
    10   1     0.04  -0.24  -0.28     0.15   0.07   0.12     0.01  -0.03  -0.04
    11   1     0.18   0.37   0.09     0.11  -0.06   0.04    -0.01   0.07   0.01
    12   1     0.08  -0.09  -0.04     0.03  -0.06  -0.00     0.01  -0.04   0.03
    13   1    -0.15   0.08  -0.02    -0.03  -0.02  -0.01    -0.02  -0.04   0.01
    14   1    -0.07   0.01  -0.05    -0.05   0.02  -0.01    -0.12   0.08   0.01
    15   1    -0.02  -0.11   0.05     0.19   0.01   0.08     0.03  -0.07   0.07
    16   6     0.03   0.03   0.01    -0.07   0.02  -0.11     0.04  -0.09  -0.02
    17   6     0.01  -0.05   0.03     0.03  -0.02   0.12    -0.04   0.09   0.04
    18   1     0.00   0.12  -0.34     0.06  -0.02   0.01    -0.06  -0.03  -0.08
    19   1    -0.13   0.16   0.10     0.01  -0.04  -0.07    -0.01  -0.09   0.05
    20   1    -0.05   0.00  -0.12    -0.11   0.19  -0.10    -0.11   0.16  -0.11
    21   1    -0.01  -0.12   0.22     0.04   0.08  -0.38    -0.08   0.17   0.03
    22   1    -0.09   0.01  -0.22     0.08   0.01  -0.09    -0.04  -0.02   0.43
    23   1    -0.06  -0.07  -0.04     0.06  -0.01   0.09    -0.03   0.20  -0.35
    24   1     0.19   0.18   0.05     0.54   0.29   0.10     0.16  -0.14  -0.04
    25   1     0.02   0.11  -0.07    -0.15   0.03  -0.19    -0.34  -0.27  -0.15
    26   1    -0.26  -0.06  -0.16    -0.17  -0.06  -0.23     0.42   0.08   0.05
                     28                     29                     30
                      A                      A                      A
 Frequencies --   1037.8759              1061.1462              1066.4346
 Red. masses --      1.4686                 2.2427                 1.5612
 Frc consts  --      0.9321                 1.4879                 1.0461
 IR Inten    --      4.0711                 1.1779                 0.4633
 RamAct Fr= 1--      3.5041                 6.0209                 1.1289
  Dep-P Fr= 1--      0.0938                 0.1688                 0.5941
  Dep-U Fr= 1--      0.1714                 0.2888                 0.7454
 Alpha2 Fr= 1--      0.0623                 0.0887                 0.0033
 Beta2  Fr= 1--      0.1001                 0.2898                 0.1402
 AlphaG Fr= 1--      0.0515                 0.0885                -0.0469
 Gamma2 Fr= 1--      0.8494                 0.6058                -1.0472
 Delta2 Fr= 1--      0.1433                -0.1466                 0.3069
 Raman1 Fr= 1--      14.016                 24.083                  4.516
 ROA1   Fr= 1--      86.131                 53.466                -90.708
 CID1   Fr= 1--       6.145                  2.220                -20.088
 Raman2 Fr= 1--       1.201                  3.478                  1.683
 ROA2   Fr= 1--      19.239                 15.713                -27.587
 CID2   Fr= 1--      16.013                  4.518                -16.392
 Raman3 Fr= 1--       2.403                  6.956                  3.366
 ROA3   Fr= 1--      86.131                 53.466                -90.708
 CID3   Fr= 1--      35.845                  7.686                -26.950
 RC180  Fr= 1--      -0.657                 -0.422                  0.491
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.06  -0.00     0.11  -0.05   0.06     0.01  -0.06   0.02
     2   6    -0.01  -0.05   0.02    -0.10   0.01  -0.11    -0.04   0.01   0.00
     3   6    -0.02   0.02  -0.01     0.03  -0.04   0.01     0.06   0.03  -0.12
     4   6    -0.06  -0.10  -0.04    -0.04   0.04  -0.02    -0.05  -0.02   0.14
     5   6     0.09  -0.03  -0.01     0.04  -0.11  -0.03     0.02   0.03   0.01
     6   6    -0.01  -0.00  -0.00    -0.01  -0.01   0.00     0.01   0.01   0.03
     7   6     0.01   0.07   0.01    -0.04   0.15   0.12     0.01   0.01   0.01
     8   6    -0.06  -0.03  -0.01     0.07   0.04  -0.05    -0.00  -0.01  -0.00
     9   1    -0.10   0.20   0.07     0.14  -0.03  -0.02     0.14  -0.04  -0.23
    10   1     0.07  -0.11  -0.08    -0.36   0.11   0.00    -0.08   0.00  -0.04
    11   1     0.01   0.10  -0.00    -0.21  -0.15  -0.10    -0.10   0.03  -0.02
    12   1    -0.29   0.39   0.02    -0.09   0.06   0.06     0.15   0.05  -0.26
    13   1     0.27   0.02   0.02     0.04  -0.05   0.02    -0.42   0.51  -0.09
    14   1     0.37  -0.16   0.09    -0.10   0.09   0.05     0.32  -0.31  -0.23
    15   1     0.37  -0.10   0.14     0.03  -0.14   0.01    -0.07  -0.03   0.12
    16   6     0.01  -0.02  -0.01    -0.03   0.00  -0.01    -0.01  -0.02  -0.02
    17   6    -0.01   0.01   0.01     0.01  -0.04   0.04    -0.01  -0.00  -0.00
    18   1     0.12   0.22   0.01    -0.02   0.20   0.44     0.02   0.02  -0.04
    19   1     0.01   0.22  -0.17    -0.09   0.05   0.12    -0.03   0.08  -0.01
    20   1     0.08  -0.04   0.21     0.10  -0.24  -0.34     0.04  -0.05   0.02
    21   1    -0.01   0.03   0.00     0.02   0.02  -0.13    -0.01   0.07  -0.08
    22   1    -0.00  -0.00   0.07     0.05  -0.00  -0.01     0.02  -0.01   0.10
    23   1    -0.00   0.04  -0.06     0.04  -0.02   0.11     0.01   0.05  -0.05
    24   1     0.05  -0.01  -0.00     0.16   0.14   0.05    -0.01  -0.01  -0.00
    25   1    -0.07  -0.05  -0.03     0.00   0.07  -0.05    -0.02  -0.02  -0.01
    26   1     0.05   0.01  -0.01    -0.18  -0.05  -0.11    -0.01  -0.00  -0.00
                     31                     32                     33
                      A                      A                      A
 Frequencies --   1086.6866              1111.3851              1129.0156
 Red. masses --      1.4705                 1.4141                 1.4185
 Frc consts  --      1.0231                 1.0291                 1.0653
 IR Inten    --      1.6984                 2.6691                 2.1166
 RamAct Fr= 1--      1.2827                 6.3938                 0.6767
  Dep-P Fr= 1--      0.4591                 0.3304                 0.7248
  Dep-U Fr= 1--      0.6293                 0.4967                 0.8405
 Alpha2 Fr= 1--      0.0076                 0.0597                 0.0003
 Beta2  Fr= 1--      0.1345                 0.5293                 0.0948
 AlphaG Fr= 1--      0.0263                -0.0514                -0.0037
 Gamma2 Fr= 1--     -0.7443                 1.0285                -0.8282
 Delta2 Fr= 1--     -1.1032                 0.8687                 0.1537
 Raman1 Fr= 1--       5.131                 25.575                  2.707
 ROA1   Fr= 1--    -106.752                126.535                -74.584
 CID1   Fr= 1--     -20.807                  4.948                -27.555
 Raman2 Fr= 1--       1.614                  6.352                  1.137
 ROA2   Fr= 1--      -9.037                 17.734                -21.105
 CID2   Fr= 1--      -5.598                  2.792                -18.554
 Raman3 Fr= 1--       3.229                 12.704                  2.275
 ROA3   Fr= 1--    -106.752                126.535                -74.584
 CID3   Fr= 1--     -33.065                  9.960                -32.785
 RC180  Fr= 1--       0.259                 -0.007                  0.681
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.02   0.07     0.01  -0.07  -0.02    -0.02  -0.01   0.04
     2   6     0.06  -0.00  -0.05    -0.04   0.02  -0.02     0.03   0.02  -0.03
     3   6     0.03   0.04  -0.02     0.03  -0.05   0.04    -0.03   0.00   0.01
     4   6    -0.04  -0.04   0.00     0.00   0.05  -0.02     0.02   0.00  -0.02
     5   6    -0.05  -0.05  -0.01     0.04   0.11  -0.01     0.03   0.03  -0.08
     6   6    -0.01  -0.02  -0.03     0.03  -0.00   0.03    -0.05   0.07   0.01
     7   6    -0.10  -0.03   0.00     0.00  -0.01   0.01    -0.03  -0.04   0.06
     8   6     0.09   0.04   0.01    -0.04  -0.04  -0.00     0.03  -0.05  -0.01
     9   1    -0.10   0.34   0.01     0.03  -0.08  -0.05     0.04  -0.00  -0.08
    10   1     0.17   0.06   0.16     0.02   0.02   0.03    -0.32   0.11   0.01
    11   1     0.41  -0.20   0.09     0.12  -0.05   0.04     0.21  -0.14   0.05
    12   1    -0.10   0.17  -0.03    -0.01  -0.05   0.06     0.01  -0.04   0.03
    13   1     0.07   0.08  -0.00    -0.01  -0.08   0.01     0.04  -0.07   0.01
    14   1     0.19  -0.10   0.01    -0.16   0.12   0.03    -0.04   0.04   0.02
    15   1    -0.02  -0.08   0.05     0.22   0.03   0.16    -0.17  -0.20   0.39
    16   6    -0.00   0.01   0.02    -0.02  -0.00  -0.02     0.03  -0.04  -0.01
    17   6     0.01   0.02   0.01    -0.02   0.01  -0.01     0.03  -0.04  -0.01
    18   1    -0.28  -0.28  -0.20    -0.14  -0.22  -0.28     0.22   0.28  -0.34
    19   1    -0.20   0.12   0.29    -0.25   0.59   0.04    -0.05   0.08   0.03
    20   1    -0.04  -0.05  -0.31     0.25  -0.40   0.06    -0.16   0.30   0.09
    21   1     0.01  -0.04   0.04     0.01   0.03  -0.08    -0.05   0.08   0.07
    22   1     0.00   0.00  -0.06     0.03  -0.00   0.01    -0.05  -0.01   0.18
    23   1    -0.01  -0.04   0.05     0.02   0.01   0.03    -0.02   0.10  -0.18
    24   1     0.05  -0.01  -0.00    -0.03  -0.05  -0.02    -0.05   0.09   0.03
    25   1    -0.04  -0.03  -0.02    -0.04  -0.05   0.01     0.14   0.12   0.04
    26   1     0.07   0.02  -0.01     0.03   0.01   0.01    -0.16  -0.03  -0.00
                     34                     35                     36
                      A                      A                      A
 Frequencies --   1152.6812              1193.6617              1213.7031
 Red. masses --      1.5978                 1.6600                 1.7645
 Frc consts  --      1.2508                 1.3935                 1.5314
 IR Inten    --      3.7470                 1.4320                 1.8796
 RamAct Fr= 1--      7.0379                 8.3706                 6.2278
  Dep-P Fr= 1--      0.5218                 0.7253                 0.6378
  Dep-U Fr= 1--      0.6857                 0.8408                 0.7789
 Alpha2 Fr= 1--      0.0313                 0.0036                 0.0126
 Beta2  Fr= 1--      0.8043                 1.1729                 0.8084
 AlphaG Fr= 1--     -0.0095                -0.0202                 0.0029
 Gamma2 Fr= 1--     -1.9260                 1.8483                -0.6656
 Delta2 Fr= 1--      0.0750                 0.7221                 0.2099
 Raman1 Fr= 1--      28.151                 33.482                 24.911
 ROA1   Fr= 1--    -182.497                200.540                -57.178
 CID1   Fr= 1--      -6.483                  5.989                 -2.295
 Raman2 Fr= 1--       9.652                 14.075                  9.701
 ROA2   Fr= 1--     -46.825                 38.582                -17.653
 CID2   Fr= 1--      -4.851                  2.741                 -1.820
 Raman3 Fr= 1--      19.304                 28.151                 19.403
 ROA3   Fr= 1--    -182.497                200.540                -57.178
 CID3   Fr= 1--      -9.454                  7.124                 -2.947
 RC180  Fr= 1--       0.371                  0.682                  0.558
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02   0.02    -0.02  -0.05   0.02    -0.01   0.00   0.02
     2   6     0.03  -0.00  -0.03    -0.02   0.06   0.01    -0.01  -0.01  -0.01
     3   6    -0.10   0.06  -0.04     0.15  -0.07   0.01    -0.03   0.01   0.01
     4   6     0.06  -0.03   0.02    -0.07   0.03  -0.01     0.01  -0.00  -0.00
     5   6     0.00  -0.01   0.07    -0.01  -0.03   0.07    -0.00   0.05  -0.05
     6   6    -0.08  -0.05  -0.07    -0.03  -0.05  -0.00     0.14  -0.13  -0.07
     7   6    -0.04  -0.01   0.01     0.03  -0.02   0.02    -0.01   0.03   0.02
     8   6    -0.00   0.03  -0.01    -0.06   0.02  -0.05    -0.02   0.01   0.03
     9   1     0.16  -0.31  -0.14    -0.12   0.24   0.03     0.06  -0.08  -0.05
    10   1    -0.29   0.06  -0.04    -0.37   0.11  -0.07    -0.22   0.01  -0.07
    11   1     0.11  -0.09   0.02     0.35  -0.03   0.13     0.16  -0.02   0.04
    12   1     0.17  -0.18  -0.05    -0.16   0.19   0.03     0.03  -0.04   0.01
    13   1    -0.02  -0.02  -0.00    -0.03   0.07  -0.01     0.01  -0.03   0.00
    14   1     0.02  -0.05  -0.05    -0.06   0.05   0.03     0.00   0.00   0.00
    15   1     0.59   0.08  -0.08    -0.13   0.22  -0.42    -0.25  -0.17   0.39
    16   6     0.05   0.03   0.03     0.02   0.02   0.00    -0.07   0.06   0.02
    17   6     0.03   0.04   0.00     0.01   0.02  -0.01    -0.05   0.06   0.04
    18   1     0.11   0.20  -0.01     0.22   0.23  -0.24     0.14   0.24  -0.21
    19   1    -0.05   0.06   0.03     0.08  -0.07  -0.18     0.13  -0.22  -0.06
    20   1     0.10  -0.18  -0.09     0.04  -0.04   0.04    -0.00   0.00   0.05
    21   1    -0.01  -0.10   0.25     0.00  -0.06   0.10     0.09  -0.14  -0.15
    22   1    -0.10   0.01  -0.13    -0.05   0.01  -0.10     0.13   0.01  -0.18
    23   1    -0.07  -0.07  -0.08    -0.04  -0.04  -0.05     0.04  -0.13   0.29
    24   1     0.02  -0.03  -0.01    -0.03  -0.05  -0.02     0.14  -0.13  -0.04
    25   1     0.03  -0.01   0.04     0.03  -0.02   0.05    -0.25  -0.18  -0.10
    26   1     0.15   0.04   0.05     0.10   0.03   0.06     0.21   0.03  -0.06
                     37                     38                     39
                      A                      A                      A
 Frequencies --   1234.4480              1242.7799              1253.3456
 Red. masses --      1.7740                 2.5212                 1.7032
 Frc consts  --      1.5928                 2.2943                 1.5764
 IR Inten    --      3.0845                 1.3219                 4.5013
 RamAct Fr= 1--      3.9767                 1.7299                 6.6416
  Dep-P Fr= 1--      0.7376                 0.4102                 0.2046
  Dep-U Fr= 1--      0.8490                 0.5817                 0.3397
 Alpha2 Fr= 1--      0.0008                 0.0124                 0.0891
 Beta2  Fr= 1--      0.5627                 0.1677                 0.3760
 AlphaG Fr= 1--     -0.0049                -0.0284                 0.0186
 Gamma2 Fr= 1--      0.4348                -1.4881                 1.3281
 Delta2 Fr= 1--      0.7607                -0.3678                -1.0856
 Raman1 Fr= 1--      15.907                  6.919                 26.566
 ROA1   Fr= 1--      66.086               -154.630                 92.757
 CID1   Fr= 1--       4.155                -22.347                  3.492
 Raman2 Fr= 1--       6.752                  2.013                  4.512
 ROA2   Fr= 1--       4.350                -32.773                 40.559
 CID2   Fr= 1--       0.644                -16.284                  8.988
 Raman3 Fr= 1--      13.505                  4.025                  9.025
 ROA3   Fr= 1--      66.086               -154.630                 92.757
 CID3   Fr= 1--       4.894                -38.415                 10.278
 RC180  Fr= 1--       0.698                  0.163                 -0.321
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.02  -0.04     0.05   0.01   0.03     0.00  -0.03   0.01
     2   6    -0.04   0.03  -0.02    -0.05  -0.05  -0.03    -0.04  -0.01  -0.00
     3   6     0.06  -0.03   0.00    -0.10   0.03  -0.01     0.01   0.01  -0.01
     4   6    -0.02   0.02   0.01     0.03  -0.01   0.01     0.01   0.00   0.01
     5   6    -0.05   0.05  -0.01    -0.05  -0.06   0.02    -0.07   0.02   0.06
     6   6    -0.09  -0.13  -0.01     0.13  -0.02   0.25     0.04   0.04  -0.13
     7   6    -0.00   0.02   0.09    -0.02   0.07   0.05     0.06   0.07  -0.03
     8   6     0.06  -0.08  -0.04     0.04  -0.02  -0.08     0.03  -0.13  -0.01
     9   1    -0.05   0.05   0.06     0.04   0.02   0.02     0.01  -0.01  -0.02
    10   1     0.46   0.00   0.18     0.00  -0.05   0.00    -0.23   0.00  -0.09
    11   1    -0.39   0.04  -0.12     0.20  -0.02   0.04     0.28  -0.01   0.09
    12   1    -0.02   0.04  -0.00     0.09  -0.11  -0.01     0.02  -0.01  -0.01
    13   1    -0.05   0.05  -0.01     0.02  -0.06   0.01    -0.01   0.01   0.00
    14   1    -0.03   0.02  -0.00     0.02  -0.02  -0.02    -0.01   0.00  -0.01
    15   1     0.11  -0.05   0.18     0.31   0.13  -0.34     0.23   0.14  -0.16
    16   6     0.04   0.06   0.01    -0.04   0.02  -0.07    -0.03  -0.01   0.03
    17   6     0.03   0.04  -0.01    -0.03   0.00  -0.08    -0.01  -0.02   0.05
    18   1     0.08   0.14  -0.03    -0.01   0.06  -0.38    -0.14  -0.20   0.20
    19   1    -0.09   0.17   0.05    -0.00  -0.01  -0.04    -0.12   0.24   0.04
    20   1    -0.21   0.38   0.06    -0.17   0.35  -0.00    -0.27   0.52   0.24
    21   1     0.03  -0.14   0.17     0.03   0.05  -0.24     0.01  -0.02  -0.03
    22   1    -0.10   0.03  -0.23     0.07   0.00  -0.15     0.08  -0.01   0.09
    23   1    -0.09  -0.14  -0.02     0.01   0.07  -0.06     0.05  -0.01   0.14
    24   1    -0.02  -0.07  -0.02    -0.29  -0.15  -0.07     0.17   0.07   0.03
    25   1     0.07  -0.03   0.09     0.04  -0.09   0.11    -0.08   0.04  -0.10
    26   1     0.15   0.05   0.10    -0.02   0.02   0.14    -0.05  -0.04  -0.14
                     40                     41                     42
                      A                      A                      A
 Frequencies --   1281.4980              1298.6113              1340.7720
 Red. masses --      1.4709                 1.9056                 1.6557
 Frc consts  --      1.4232                 1.8934                 1.7536
 IR Inten    --      0.2336                 2.6780                 1.1064
 RamAct Fr= 1--      0.2810                10.5328                 6.2781
  Dep-P Fr= 1--      0.4593                 0.4280                 0.7306
  Dep-U Fr= 1--      0.6295                 0.5994                 0.8443
 Alpha2 Fr= 1--      0.0017                 0.0704                 0.0021
 Beta2  Fr= 1--      0.0295                 1.0523                 0.8835
 AlphaG Fr= 1--     -0.0008                -0.0077                 0.0004
 Gamma2 Fr= 1--      0.2178                 1.4333                -0.1807
 Delta2 Fr= 1--      0.1048                 0.0878                -1.1933
 Raman1 Fr= 1--       1.124                 42.131                 25.113
 ROA1   Fr= 1--      24.265                140.408                -55.537
 CID1   Fr= 1--      21.591                  3.333                 -2.212
 Raman2 Fr= 1--       0.354                 12.628                 10.602
 ROA2   Fr= 1--       4.389                 33.697                  5.209
 CID2   Fr= 1--      12.409                  2.669                  0.491
 Raman3 Fr= 1--       0.707                 25.255                 21.203
 ROA3   Fr= 1--      24.265                140.408                -55.537
 CID3   Fr= 1--      34.300                  5.560                 -2.619
 RC180  Fr= 1--       0.259                  0.199                  0.689
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.06   0.00    -0.00  -0.02   0.02     0.00  -0.04  -0.02
     2   6     0.05  -0.01   0.01    -0.01  -0.00   0.03     0.12   0.04   0.06
     3   6     0.03   0.03   0.03     0.01  -0.01   0.00     0.01  -0.07  -0.03
     4   6    -0.02  -0.02  -0.02    -0.00   0.01  -0.00     0.01   0.02   0.01
     5   6     0.05  -0.01   0.04     0.01   0.03  -0.07    -0.07   0.02  -0.02
     6   6     0.04  -0.03   0.03    -0.09  -0.10   0.12     0.08   0.03   0.02
     7   6    -0.09  -0.04  -0.06     0.05   0.07  -0.16    -0.09  -0.06  -0.06
     8   6     0.05  -0.06  -0.02     0.02  -0.01   0.04     0.04  -0.00   0.02
     9   1     0.17  -0.39  -0.13    -0.02   0.07  -0.01    -0.26   0.44   0.13
    10   1    -0.01   0.01   0.01    -0.33   0.01  -0.13    -0.32   0.09  -0.07
    11   1    -0.08   0.02  -0.03     0.37   0.05   0.13    -0.35   0.09  -0.08
    12   1    -0.06   0.06   0.01    -0.01  -0.00   0.01    -0.00   0.02   0.01
    13   1     0.07   0.01   0.00    -0.02  -0.01  -0.00    -0.10  -0.00  -0.01
    14   1     0.05  -0.00   0.05    -0.01   0.01   0.00    -0.08   0.02  -0.05
    15   1    -0.42   0.14  -0.26    -0.06  -0.16   0.30     0.43  -0.03   0.11
    16   6    -0.01   0.00  -0.01     0.03   0.03  -0.03    -0.02  -0.01   0.01
    17   6    -0.02   0.02  -0.01     0.03   0.04  -0.04    -0.02   0.00  -0.00
    18   1     0.14   0.30   0.27    -0.15  -0.17   0.56     0.14   0.28   0.18
    19   1    -0.24   0.43   0.15     0.02   0.02   0.04    -0.09   0.07   0.14
    20   1    -0.04   0.05  -0.04    -0.05   0.06   0.00    -0.01   0.00  -0.05
    21   1     0.01   0.00  -0.05     0.01  -0.03   0.06     0.02   0.04  -0.11
    22   1     0.03  -0.00  -0.03    -0.11   0.02  -0.11     0.06  -0.02  -0.03
    23   1     0.01   0.01   0.00    -0.08  -0.07  -0.11     0.02   0.06   0.00
    24   1    -0.02  -0.06  -0.02    -0.15  -0.09  -0.03    -0.02  -0.03  -0.01
    25   1    -0.04  -0.06   0.01     0.06  -0.09   0.11    -0.03  -0.01  -0.02
    26   1     0.05   0.02   0.01     0.02   0.05   0.14     0.00  -0.00  -0.03
                     43                     44                     45
                      A                      A                      A
 Frequencies --   1361.5675              1372.1529              1402.8340
 Red. masses --      1.8975                 1.6416                 1.2610
 Frc consts  --      2.0726                 1.8211                 1.4621
 IR Inten    --      2.8217                 1.3475                 9.2935
 RamAct Fr= 1--     11.7441                 2.2125                 0.1829
  Dep-P Fr= 1--      0.2384                 0.7062                 0.4932
  Dep-U Fr= 1--      0.3850                 0.8278                 0.6606
 Alpha2 Fr= 1--      0.1438                 0.0017                 0.0009
 Beta2  Fr= 1--      0.7536                 0.3052                 0.0201
 AlphaG Fr= 1--      0.0745                -0.0050                -0.0047
 Gamma2 Fr= 1--      2.0357                -0.7714                 0.0936
 Delta2 Fr= 1--      1.1454                -0.5884                -0.0088
 Raman1 Fr= 1--      46.976                  8.850                  0.732
 ROA1   Fr= 1--     232.076                -92.881                  8.701
 CID1   Fr= 1--       4.940                -10.495                 11.890
 Raman2 Fr= 1--       9.043                  3.663                  0.242
 ROA2   Fr= 1--      39.693                -13.806                  2.316
 CID2   Fr= 1--       4.389                 -3.769                  9.582
 Raman3 Fr= 1--      18.086                  7.326                  0.483
 ROA3   Fr= 1--     232.076                -92.881                  8.701
 CID3   Fr= 1--      12.832                -12.679                 17.999
 RC180  Fr= 1--      -0.230                  0.656                  0.321
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.06   0.00  -0.02    -0.08   0.03  -0.02     0.00  -0.00  -0.00
     2   6    -0.07   0.02  -0.01     0.14  -0.06   0.02    -0.00   0.01   0.00
     3   6     0.16   0.03   0.08     0.09   0.02   0.04     0.00  -0.00   0.00
     4   6    -0.04  -0.01  -0.02    -0.01  -0.03  -0.02    -0.01   0.01   0.00
     5   6    -0.15  -0.01  -0.07    -0.03  -0.01  -0.02    -0.01  -0.00  -0.01
     6   6     0.04   0.05   0.02    -0.02  -0.02   0.02     0.02   0.00   0.03
     7   6    -0.00  -0.05  -0.03     0.01   0.09   0.05    -0.01  -0.01  -0.01
     8   6     0.01   0.04   0.04    -0.00  -0.00  -0.01     0.00   0.00   0.01
     9   1     0.21  -0.48  -0.16     0.07  -0.26  -0.10    -0.01   0.02   0.00
    10   1     0.23  -0.03   0.04    -0.44  -0.01  -0.16     0.01  -0.01  -0.02
    11   1     0.23  -0.05   0.08    -0.43   0.01  -0.16     0.02  -0.01   0.01
    12   1    -0.10   0.10   0.01    -0.09   0.13   0.02     0.02  -0.04  -0.01
    13   1     0.08   0.11  -0.02     0.01   0.11  -0.04     0.03  -0.03   0.02
    14   1     0.02   0.05   0.13    -0.04   0.05   0.10     0.04  -0.02  -0.02
    15   1     0.49  -0.12   0.16     0.05  -0.03   0.02     0.04  -0.01   0.00
    16   6    -0.01  -0.02   0.01     0.00   0.01  -0.02    -0.01   0.02  -0.11
    17   6     0.00  -0.02  -0.01     0.01   0.00  -0.01    -0.08  -0.03  -0.03
    18   1     0.16   0.17   0.13    -0.32  -0.37  -0.32     0.03   0.04   0.03
    19   1     0.09  -0.22   0.02     0.07  -0.03  -0.09     0.03   0.02  -0.02
    20   1    -0.00  -0.03  -0.05    -0.06   0.05  -0.05    -0.04  -0.00  -0.07
    21   1     0.01   0.04  -0.08    -0.01  -0.03   0.05    -0.15  -0.14   0.36
    22   1     0.04  -0.01  -0.01    -0.02   0.02   0.03     0.00   0.07   0.42
    23   1     0.01   0.07  -0.04     0.01  -0.05   0.04     0.18  -0.20   0.37
    24   1    -0.04   0.03   0.01    -0.02  -0.01  -0.01     0.30   0.17  -0.04
    25   1     0.02   0.04  -0.02     0.02  -0.03   0.03     0.22   0.21   0.21
    26   1    -0.03  -0.01  -0.00    -0.03   0.01   0.04     0.35  -0.01   0.14
                     46                     47                     48
                      A                      A                      A
 Frequencies --   1413.4226              1421.7239              1477.6208
 Red. masses --      1.2997                 1.2194                 1.0453
 Frc consts  --      1.5298                 1.4522                 1.3447
 IR Inten    --      2.8448                 6.8577                 7.7361
 RamAct Fr= 1--     11.0982                 0.1493                 6.5462
  Dep-P Fr= 1--      0.3703                 0.1840                 0.7269
  Dep-U Fr= 1--      0.5405                 0.3108                 0.8418
 Alpha2 Fr= 1--      0.0911                 0.0021                 0.0026
 Beta2  Fr= 1--      0.9998                 0.0077                 0.9185
 AlphaG Fr= 1--     -0.0015                -0.0008                -0.0342
 Gamma2 Fr= 1--      0.4006                 0.0010                -0.0641
 Delta2 Fr= 1--      0.2613                 0.0138                 0.1217
 Raman1 Fr= 1--      44.393                  0.597                 26.185
 ROA1   Fr= 1--      46.823                  0.534                 -2.265
 CID1   Fr= 1--       1.055                  0.895                 -0.086
 Raman2 Fr= 1--      11.998                  0.093                 11.022
 ROA2   Fr= 1--       7.525                 -0.087                 -2.513
 CID2   Fr= 1--       0.627                 -0.941                 -0.228
 Raman3 Fr= 1--      23.995                  0.186                 22.043
 ROA3   Fr= 1--      46.823                  0.534                 -2.265
 CID3   Fr= 1--       1.951                  2.880                 -0.103
 RC180  Fr= 1--       0.081                 -0.378                  0.684
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6     0.02  -0.00   0.01     0.01  -0.01   0.00    -0.00   0.00   0.00
     3   6     0.04  -0.01   0.01    -0.00  -0.00   0.00     0.00   0.01  -0.02
     4   6    -0.12   0.10   0.00     0.00  -0.00  -0.00     0.02   0.02  -0.05
     5   6    -0.01   0.00  -0.00     0.01   0.00  -0.00    -0.00  -0.00   0.01
     6   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.01   0.00     0.01   0.01  -0.00    -0.00  -0.00   0.00
     8   6    -0.00  -0.00  -0.00    -0.00  -0.01   0.01     0.00   0.00   0.00
     9   1    -0.01  -0.02  -0.01     0.00  -0.01  -0.00    -0.00   0.00   0.01
    10   1    -0.06   0.01  -0.02    -0.04   0.00   0.00     0.01  -0.01  -0.02
    11   1    -0.06   0.01  -0.02    -0.00   0.02  -0.01    -0.01  -0.02   0.00
    12   1     0.21  -0.45  -0.12    -0.01  -0.00   0.01    -0.22  -0.30   0.61
    13   1     0.36  -0.40   0.22    -0.01  -0.00  -0.00    -0.46  -0.02  -0.14
    14   1     0.53  -0.21  -0.18     0.00   0.00   0.01     0.44   0.02   0.25
    15   1     0.01  -0.00   0.01    -0.04  -0.01   0.02     0.00   0.01  -0.01
    16   6    -0.00  -0.00   0.01     0.00  -0.02   0.09    -0.00   0.00  -0.00
    17   6     0.01   0.00   0.00    -0.09  -0.04  -0.03     0.00   0.00   0.00
    18   1    -0.02  -0.03  -0.02    -0.04  -0.05  -0.00     0.00   0.00   0.00
    19   1     0.01   0.00  -0.01     0.05   0.04  -0.06     0.00  -0.00  -0.00
    20   1    -0.01   0.00  -0.01    -0.05  -0.00  -0.07    -0.00   0.00  -0.00
    21   1     0.01   0.00  -0.03     0.12   0.11  -0.29    -0.00  -0.01   0.01
    22   1     0.01  -0.01  -0.04     0.03  -0.07  -0.35     0.01   0.00   0.01
    23   1    -0.02   0.03  -0.04    -0.13   0.20  -0.30     0.00   0.01  -0.00
    24   1    -0.02  -0.01   0.00     0.36   0.20  -0.04    -0.01   0.00   0.00
    25   1    -0.02  -0.02  -0.01     0.26   0.29   0.22    -0.01  -0.00  -0.01
    26   1    -0.03   0.00  -0.01     0.43  -0.02   0.12    -0.00   0.00   0.00
                     49                     50                     51
                      A                      A                      A
 Frequencies --   1479.4212              1483.9079              1488.2273
 Red. masses --      1.0845                 1.0540                 1.0597
 Frc consts  --      1.3985                 1.3674                 1.3828
 IR Inten    --      3.6327                 3.4684                 4.3720
 RamAct Fr= 1--     26.3223                 1.2414                14.8259
  Dep-P Fr= 1--      0.5505                 0.5516                 0.4629
  Dep-U Fr= 1--      0.7101                 0.7110                 0.6329
 Alpha2 Fr= 1--      0.1004                 0.0047                 0.0862
 Beta2  Fr= 1--      3.1151                 0.1471                 1.5638
 AlphaG Fr= 1--      0.0851                -0.0077                -0.0631
 Gamma2 Fr= 1--     -6.5492                 1.2418                 3.6168
 Delta2 Fr= 1--     -4.9759                 0.4146                 2.4964
 Raman1 Fr= 1--     105.289                  4.966                 59.304
 ROA1   Fr= 1--    -787.950                132.477                427.097
 CID1   Fr= 1--      -7.484                 26.679                  7.202
 Raman2 Fr= 1--      37.381                  1.765                 18.766
 ROA2   Fr= 1--    -117.373                 26.486                 66.832
 CID2   Fr= 1--      -3.140                 15.003                  3.561
 Raman3 Fr= 1--      74.762                  3.531                 37.531
 ROA3   Fr= 1--    -787.950                132.477                427.097
 CID3   Fr= 1--     -10.539                 37.521                 11.380
 RC180  Fr= 1--       0.420                  0.422                  0.266
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.00     0.00  -0.01  -0.00     0.01  -0.03  -0.01
     2   6     0.00  -0.07  -0.03    -0.01   0.00  -0.00     0.00   0.01   0.01
     3   6     0.01  -0.01  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.00
     4   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.04  -0.02  -0.02
     5   6    -0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.01  -0.00  -0.02    -0.00  -0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
     8   6    -0.00   0.01  -0.02    -0.00  -0.01   0.02     0.00  -0.00  -0.01
     9   1     0.02  -0.04  -0.01    -0.01   0.01   0.00    -0.05   0.08   0.02
    10   1    -0.14   0.25   0.55     0.01   0.01   0.03    -0.01  -0.01  -0.05
    11   1     0.10   0.61  -0.11     0.01   0.02  -0.00    -0.03  -0.04   0.01
    12   1    -0.02  -0.00   0.03     0.01  -0.01  -0.01     0.19  -0.36  -0.13
    13   1    -0.03  -0.02  -0.00     0.01   0.03  -0.00     0.31   0.53  -0.05
    14   1     0.02  -0.01  -0.01    -0.01   0.01   0.02     0.06   0.25   0.54
    15   1     0.01  -0.00   0.01    -0.01   0.00   0.01    -0.03   0.01  -0.01
    16   6     0.01  -0.01  -0.01    -0.03  -0.03  -0.01     0.01  -0.01  -0.00
    17   6    -0.01   0.00   0.01     0.01   0.02  -0.03    -0.01   0.01   0.01
    18   1    -0.00  -0.02  -0.01     0.01  -0.00   0.01     0.01   0.01   0.01
    19   1    -0.07  -0.09   0.10     0.09   0.08  -0.12    -0.02  -0.01   0.02
    20   1     0.08  -0.00   0.12    -0.09  -0.01  -0.14     0.02   0.00   0.03
    21   1    -0.11   0.20   0.07    -0.18   0.03   0.30    -0.04   0.11  -0.00
    22   1    -0.13  -0.01  -0.09     0.34  -0.06  -0.23    -0.09  -0.00  -0.04
    23   1     0.11   0.04   0.12     0.28   0.46   0.06     0.03  -0.01   0.04
    24   1     0.02  -0.13  -0.03     0.24  -0.01  -0.06     0.03  -0.14  -0.03
    25   1     0.05   0.08   0.04     0.01  -0.35   0.25     0.05   0.05   0.05
    26   1     0.04  -0.02  -0.16    -0.27   0.04   0.20     0.02  -0.01  -0.14
                     52                     53                     54
                      A                      A                      A
 Frequencies --   1493.6754              1500.4946              1514.7652
 Red. masses --      1.0496                 1.0785                 1.0686
 Frc consts  --      1.3798                 1.4307                 1.4446
 IR Inten    --      6.3682                 0.4811                 8.2523
 RamAct Fr= 1--      2.9478                 6.9887                 4.6689
  Dep-P Fr= 1--      0.6602                 0.6928                 0.7487
  Dep-U Fr= 1--      0.7953                 0.8185                 0.8563
 Alpha2 Fr= 1--      0.0047                 0.0070                 0.0001
 Beta2  Fr= 1--      0.3908                 0.9534                 0.6663
 AlphaG Fr= 1--     -0.0139                 0.0093                -0.0004
 Gamma2 Fr= 1--      0.7113                -1.1780                 0.1416
 Delta2 Fr= 1--      0.3620                 0.2800                -0.4192
 Raman1 Fr= 1--      11.791                 27.955                 18.676
 ROA1   Fr= 1--      79.868               -104.132                  0.178
 CID1   Fr= 1--       6.773                 -3.725                  0.010
 Raman2 Fr= 1--       4.689                 11.441                  7.996
 ROA2   Fr= 1--      14.175                -30.513                  6.752
 CID2   Fr= 1--       3.023                 -2.667                  0.844
 Raman3 Fr= 1--       9.378                 22.881                 15.992
 ROA3   Fr= 1--      79.868               -104.132                  0.178
 CID3   Fr= 1--       8.516                 -4.551                  0.011
 RC180  Fr= 1--       0.591                  0.637                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
     2   6     0.00  -0.02  -0.01     0.01   0.01   0.01     0.00  -0.00  -0.00
     3   6    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.01  -0.00  -0.00
     4   6    -0.01  -0.01  -0.01    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     5   6     0.00   0.00   0.01     0.00  -0.00  -0.01     0.00  -0.01  -0.01
     6   6     0.01  -0.00  -0.01    -0.03  -0.03   0.02    -0.01   0.02  -0.00
     7   6    -0.00  -0.01  -0.00    -0.00   0.02  -0.00    -0.00   0.00  -0.00
     8   6    -0.00  -0.00   0.01     0.00   0.01  -0.04     0.00   0.02  -0.05
     9   1    -0.01   0.02   0.01     0.00  -0.01  -0.00     0.01  -0.01  -0.00
    10   1    -0.06   0.11   0.22     0.00  -0.04  -0.10    -0.01   0.01   0.01
    11   1     0.03   0.25  -0.05    -0.03  -0.10   0.01    -0.00   0.02  -0.01
    12   1     0.05  -0.10  -0.04    -0.00   0.02  -0.01     0.00  -0.01  -0.00
    13   1     0.08   0.15  -0.02     0.00  -0.01   0.00     0.01   0.02  -0.00
    14   1     0.01   0.07   0.15    -0.01  -0.00  -0.01     0.00   0.01   0.02
    15   1    -0.01   0.01   0.00    -0.02  -0.02   0.01     0.01  -0.01  -0.01
    16   6    -0.02   0.02   0.00    -0.03  -0.01  -0.01    -0.01   0.02   0.01
    17   6     0.02  -0.03  -0.02     0.00  -0.02   0.02    -0.02   0.02  -0.02
    18   1     0.01   0.01   0.00    -0.03  -0.02   0.00    -0.01  -0.01   0.00
    19   1     0.01   0.04  -0.02    -0.19  -0.17   0.24    -0.25  -0.24   0.32
    20   1    -0.02  -0.01  -0.03     0.18   0.02   0.29     0.24   0.01   0.37
    21   1     0.11  -0.28  -0.03    -0.09  -0.14   0.25     0.16  -0.29  -0.10
    22   1     0.21   0.01   0.11     0.39  -0.04  -0.14     0.15   0.02   0.17
    23   1    -0.10  -0.02  -0.11     0.17   0.36  -0.03    -0.18  -0.09  -0.16
    24   1    -0.17   0.50   0.12    -0.24   0.02   0.05     0.34  -0.08  -0.09
    25   1    -0.19  -0.08  -0.26     0.00   0.31  -0.23     0.10  -0.24   0.32
    26   1     0.04   0.04   0.46     0.27  -0.03  -0.15    -0.21   0.02   0.07
                     55                     56                     57
                      A                      A                      A
 Frequencies --   1518.9781              1722.3592              3000.3474
 Red. masses --      1.0613                 6.5420                 1.0596
 Frc consts  --      1.4428                11.4342                 5.6199
 IR Inten    --      4.6538                 1.7235                45.9987
 RamAct Fr= 1--      4.3158                52.6990               207.3982
  Dep-P Fr= 1--      0.6253                 0.1283                 0.1574
  Dep-U Fr= 1--      0.7694                 0.2274                 0.2720
 Alpha2 Fr= 1--      0.0098                 0.8604                 3.1466
 Beta2  Fr= 1--      0.5535                 1.9972                 9.4004
 AlphaG Fr= 1--     -0.0134                -0.0299                 0.2091
 Gamma2 Fr= 1--     -1.1469                -0.8758                -4.0243
 Delta2 Fr= 1--      0.0108                -0.2567                -1.1625
 Raman1 Fr= 1--      17.263                210.796                829.593
 ROA1   Fr= 1--    -109.760                -92.294               -423.528
 CID1   Fr= 1--      -6.358                 -0.438                 -0.511
 Raman2 Fr= 1--       6.641                 23.967                112.804
 ROA2   Fr= 1--     -27.612                -18.966                -87.282
 CID2   Fr= 1--      -4.158                 -0.791                 -0.774
 Raman3 Fr= 1--      13.283                 47.934                225.608
 ROA3   Fr= 1--    -109.760                -92.294               -423.528
 CID3   Fr= 1--      -8.263                 -1.925                 -1.877
 RC180  Fr= 1--       0.539                 -0.545                 -0.456
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.05  -0.43  -0.19     0.00  -0.00   0.00
     2   6     0.00   0.01   0.01    -0.00   0.04   0.02     0.01  -0.06  -0.04
     3   6     0.00   0.00   0.00    -0.01   0.47   0.22     0.00   0.00   0.00
     4   6    -0.00   0.00   0.00     0.03  -0.05  -0.02     0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00     0.01  -0.05  -0.02     0.00  -0.00  -0.00
     6   6     0.02  -0.02  -0.01    -0.00   0.00   0.01    -0.00   0.00  -0.00
     7   6    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.01   0.01  -0.00
     8   6     0.00   0.01  -0.04     0.00   0.01  -0.00     0.00   0.00  -0.00
     9   1     0.00  -0.00  -0.00    -0.36   0.23  -0.02    -0.03  -0.01  -0.02
    10   1     0.02  -0.06  -0.13    -0.17   0.10   0.07     0.14   0.54  -0.27
    11   1    -0.03  -0.14   0.02    -0.13   0.15  -0.04    -0.21   0.12   0.73
    12   1    -0.01   0.01   0.01    -0.09   0.17   0.05    -0.00  -0.00  -0.00
    13   1    -0.01  -0.02   0.00     0.05  -0.21   0.04    -0.00   0.00   0.00
    14   1     0.01  -0.01  -0.02     0.11  -0.13  -0.13     0.00   0.00  -0.00
    15   1    -0.01  -0.00   0.00    -0.27  -0.01  -0.11    -0.00   0.01   0.00
    16   6     0.02  -0.03   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    17   6     0.00  -0.01  -0.02    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    18   1    -0.01   0.01  -0.01     0.03   0.04   0.03     0.09  -0.07   0.00
    19   1    -0.17  -0.15   0.22    -0.02  -0.04   0.03     0.00  -0.00   0.00
    20   1     0.15   0.02   0.25     0.03  -0.00   0.03    -0.00  -0.00   0.00
    21   1    -0.16   0.46  -0.00     0.02  -0.01  -0.03    -0.02  -0.01  -0.01
    22   1    -0.37  -0.02  -0.19    -0.00   0.00  -0.00     0.00   0.02  -0.00
    23   1     0.14  -0.03   0.21    -0.02  -0.01  -0.02     0.02  -0.01  -0.01
    24   1     0.04   0.34   0.05     0.00  -0.01  -0.00     0.00   0.00  -0.00
    25   1    -0.10  -0.15  -0.06     0.01   0.01   0.01     0.00   0.00  -0.00
    26   1    -0.01   0.04   0.37     0.00  -0.00  -0.01    -0.00   0.00  -0.00
                     58                     59                     60
                      A                      A                      A
 Frequencies --   3008.6110              3017.9762              3021.8101
 Red. masses --      1.0378                 1.1009                 1.0401
 Frc consts  --      5.5349                 5.9080                 5.5957
 IR Inten    --     31.9145                24.2602                17.0159
 RamAct Fr= 1--    265.1754               132.4479                19.0684
  Dep-P Fr= 1--      0.0530                 0.6815                 0.4707
  Dep-U Fr= 1--      0.1007                 0.8106                 0.6401
 Alpha2 Fr= 1--      5.2004                 0.1599                 0.1073
 Beta2  Fr= 1--      4.4510                17.8933                 2.0344
 AlphaG Fr= 1--     -0.1554                 0.6338                -0.0009
 Gamma2 Fr= 1--     -1.7105                12.6960                -1.3571
 Delta2 Fr= 1--      2.0645                -1.4134                 1.1755
 Raman1 Fr= 1--    1060.702                529.791                 76.274
 ROA1   Fr= 1--     -98.143               1173.589                -92.666
 CID1   Fr= 1--      -0.093                  2.215                 -1.215
 Raman2 Fr= 1--      53.412                214.720                 24.413
 ROA2   Fr= 1--     -57.568                316.011                -41.975
 CID2   Fr= 1--      -1.078                  1.472                 -1.719
 Raman3 Fr= 1--     106.824                429.440                 48.825
 ROA3   Fr= 1--     -98.143               1173.589                -92.666
 CID3   Fr= 1--      -0.919                  2.733                 -1.898
 RC180  Fr= 1--      -0.799                  0.621                  0.280
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     2   6    -0.00  -0.00  -0.00    -0.03  -0.05   0.07    -0.00   0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     4   6     0.02  -0.05  -0.01    -0.00  -0.00   0.00     0.00  -0.00  -0.00
     5   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     8   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     9   1     0.01   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   1     0.00  -0.00   0.00     0.16   0.69  -0.30     0.00   0.01  -0.00
    11   1     0.00  -0.00  -0.00     0.17  -0.12  -0.59     0.01  -0.01  -0.04
    12   1    -0.30  -0.14  -0.18     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   1    -0.15   0.12   0.60     0.00  -0.00  -0.00    -0.00   0.00   0.01
    14   1     0.19   0.57  -0.30     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1     0.00  -0.04  -0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
    16   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.02  -0.02   0.03
    17   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.03   0.02  -0.01
    18   1    -0.00   0.00   0.00     0.02  -0.01  -0.00    -0.01   0.00   0.00
    19   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.01
    20   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.01  -0.00   0.00
    21   1     0.00   0.00   0.00     0.02   0.01   0.01    -0.21  -0.08  -0.08
    22   1    -0.00  -0.01   0.00    -0.00  -0.02   0.00     0.02   0.53  -0.05
    23   1    -0.00   0.00   0.00    -0.03   0.02   0.02     0.40  -0.22  -0.26
    24   1    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02   0.05  -0.21
    25   1    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.31   0.16   0.22
    26   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00  -0.40   0.05
                     61                     62                     63
                      A                      A                      A
 Frequencies --   3028.4016              3047.1656              3053.5525
 Red. masses --      1.0401                 1.0989                 1.0846
 Frc consts  --      5.6204                 6.0119                 5.9583
 IR Inten    --     61.0392                20.3318                62.6711
 RamAct Fr= 1--    307.9119                99.2450               177.1949
  Dep-P Fr= 1--      0.0336                 0.7421                 0.2934
  Dep-U Fr= 1--      0.0649                 0.8520                 0.4537
 Alpha2 Fr= 1--      6.3241                 0.0133                 1.8532
 Beta2  Fr= 1--      3.3324                14.0922                13.4003
 AlphaG Fr= 1--     -0.0336                -0.2675                 0.4583
 Gamma2 Fr= 1--      3.9425                -2.5244                11.3290
 Delta2 Fr= 1--      0.3742                -2.8006                 6.0278
 Raman1 Fr= 1--    1231.647                396.980                708.780
 ROA1   Fr= 1--     390.456               -331.961               1280.468
 CID1   Fr= 1--       0.317                 -0.836                  1.807
 Raman2 Fr= 1--      39.988                169.107                160.804
 ROA2   Fr= 1--      91.627                -38.180                223.673
 CID2   Fr= 1--       2.291                 -0.226                  1.391
 Raman3 Fr= 1--      79.977                338.213                321.607
 ROA3   Fr= 1--     390.456               -331.961               1280.468
 CID3   Fr= 1--       4.882                 -0.982                  3.981
 RC180  Fr= 1--      -0.870                  0.704                 -0.093
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     2   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.01   0.00
     3   6    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.03   0.04  -0.08    -0.00  -0.00   0.00
     5   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
     7   6     0.01  -0.00  -0.00    -0.00   0.00  -0.00    -0.07   0.05  -0.00
     8   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.01
     9   1     0.00   0.00   0.00     0.00   0.00  -0.00     0.01   0.00   0.01
    10   1     0.00   0.02  -0.01     0.00   0.00  -0.00    -0.02  -0.08   0.04
    11   1     0.01  -0.01  -0.03     0.00  -0.00  -0.00     0.02  -0.01  -0.08
    12   1    -0.00  -0.00  -0.00    -0.01   0.00  -0.03     0.00   0.00   0.00
    13   1    -0.00   0.00   0.01    -0.16   0.17   0.68    -0.00   0.00   0.00
    14   1     0.00   0.00  -0.00    -0.19  -0.60   0.29     0.00   0.01  -0.00
    15   1    -0.00  -0.05  -0.02     0.00  -0.01  -0.00    -0.00  -0.01  -0.01
    16   6    -0.01  -0.02   0.03     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    17   6    -0.04  -0.02   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    18   1    -0.07   0.05  -0.00     0.00  -0.00   0.00     0.78  -0.56   0.02
    19   1    -0.02  -0.01  -0.02    -0.00  -0.00  -0.00    -0.11  -0.03  -0.09
    20   1     0.02   0.02  -0.01     0.00   0.00  -0.00     0.11   0.08  -0.06
    21   1    -0.16  -0.06  -0.07     0.01   0.00   0.00    -0.02  -0.01  -0.01
    22   1     0.02   0.41  -0.04     0.00   0.01  -0.00     0.00   0.03  -0.00
    23   1     0.31  -0.17  -0.20    -0.02   0.01   0.01     0.03  -0.02  -0.02
    24   1     0.03  -0.06   0.28    -0.00   0.00  -0.00     0.01  -0.01   0.03
    25   1     0.40  -0.21  -0.28    -0.00   0.00   0.00     0.00   0.00  -0.00
    26   1    -0.00   0.50  -0.06    -0.00  -0.00   0.00     0.00   0.06  -0.01
                     64                     65                     66
                      A                      A                      A
 Frequencies --   3064.3729              3069.4316              3074.6471
 Red. masses --      1.0818                 1.1008                 1.0691
 Frc consts  --      5.9850                 6.1105                 5.9546
 IR Inten    --     46.0989                 1.7060                32.9305
 RamAct Fr= 1--     78.5056                25.9267               249.9228
  Dep-P Fr= 1--      0.5708                 0.7489                 0.0179
  Dep-U Fr= 1--      0.7268                 0.8564                 0.0351
 Alpha2 Fr= 1--      0.2653                 0.0005                 5.3261
 Beta2  Fr= 1--      9.5096                 3.7006                 1.4640
 AlphaG Fr= 1--      0.0538                 0.0039                -1.3274
 Gamma2 Fr= 1--    -18.7685                 9.7282                -6.0177
 Delta2 Fr= 1--    -11.3534                 5.3269                -0.0267
 Raman1 Fr= 1--     314.022                103.707                999.691
 ROA1   Fr= 1--   -2165.087               1104.366               -578.552
 CID1   Fr= 1--      -6.895                 10.649                 -0.579
 Raman2 Fr= 1--     114.115                 44.407                 17.568
 ROA2   Fr= 1--    -359.617                190.860               -144.211
 CID2   Fr= 1--      -3.151                  4.298                 -8.209
 Raman3 Fr= 1--     228.231                 88.814                 35.136
 ROA3   Fr= 1--   -2165.087               1104.366               -578.552
 CID3   Fr= 1--      -9.486                 12.435                -16.466
 RC180  Fr= 1--       0.454                  0.713                 -0.930
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
     4   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     5   6    -0.00  -0.07  -0.04    -0.00   0.00   0.00    -0.00   0.03   0.01
     6   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.01  -0.00
     8   6    -0.01  -0.01   0.02     0.00   0.00  -0.00    -0.02  -0.03   0.05
     9   1     0.01   0.00   0.01     0.00   0.00   0.00    -0.01  -0.00  -0.01
    10   1     0.00   0.00  -0.00    -0.00  -0.01   0.00     0.01   0.02  -0.01
    11   1     0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.02
    12   1    -0.05  -0.02  -0.03    -0.00  -0.00  -0.00     0.01   0.00   0.01
    13   1    -0.01   0.00   0.02     0.00  -0.00  -0.01     0.00  -0.00  -0.01
    14   1     0.00   0.01  -0.01     0.00   0.01  -0.01    -0.00  -0.00   0.00
    15   1    -0.01   0.81   0.41     0.00  -0.05  -0.03     0.00  -0.33  -0.16
    16   6     0.00  -0.00   0.00     0.03  -0.07  -0.02     0.00  -0.00  -0.00
    17   6    -0.00   0.01  -0.00    -0.02   0.04   0.01     0.01  -0.00  -0.01
    18   1    -0.05   0.04  -0.00     0.03  -0.02   0.00    -0.15   0.11  -0.00
    19   1    -0.17  -0.05  -0.14     0.02   0.01   0.01    -0.31  -0.09  -0.27
    20   1     0.23   0.16  -0.13    -0.02  -0.02   0.01     0.58   0.41  -0.33
    21   1    -0.01  -0.01  -0.01     0.02  -0.02  -0.00     0.00  -0.00  -0.00
    22   1     0.00   0.04  -0.00     0.04   0.61  -0.07     0.00   0.03  -0.00
    23   1    -0.01   0.00   0.00    -0.47   0.24   0.32    -0.06   0.03   0.04
    24   1     0.01  -0.01   0.04    -0.01   0.01  -0.01     0.02  -0.02   0.09
    25   1     0.04  -0.02  -0.03     0.25  -0.12  -0.17    -0.11   0.05   0.07
    26   1     0.00  -0.06   0.01    -0.00  -0.33   0.05     0.00  -0.00  -0.00
                     67                     68                     69
                      A                      A                      A
 Frequencies --   3077.0610              3098.7079              3109.9307
 Red. masses --      1.0999                 1.0989                 1.0998
 Frc consts  --      6.1357                 6.2171                 6.2672
 IR Inten    --     59.0396                24.4589                29.4901
 RamAct Fr= 1--    150.5716                93.0351                27.3359
  Dep-P Fr= 1--      0.7293                 0.6865                 0.6739
  Dep-U Fr= 1--      0.8435                 0.8141                 0.8052
 Alpha2 Fr= 1--      0.0534                 0.1039                 0.0368
 Beta2  Fr= 1--     21.1668                12.6231                 3.6685
 AlphaG Fr= 1--      0.0353                 0.1286                -0.0032
 Gamma2 Fr= 1--     -6.0309                 1.0804                -0.4391
 Delta2 Fr= 1--      0.8928                 0.7482                -1.6198
 Raman1 Fr= 1--     602.287                372.141                109.344
 ROA1   Fr= 1--    -550.395                127.664                -93.986
 CID1   Fr= 1--      -0.914                  0.343                 -0.860
 Raman2 Fr= 1--     254.002                151.477                 44.021
 ROA2   Fr= 1--    -151.884                 19.945                  2.420
 CID2   Fr= 1--      -0.598                  0.132                  0.055
 Raman3 Fr= 1--     508.003                302.955                 88.043
 ROA3   Fr= 1--    -550.395                127.664                -93.986
 CID3   Fr= 1--      -1.083                  0.421                 -1.067
 RC180  Fr= 1--       0.687                  0.628                  0.610
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     2   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00    -0.06  -0.05  -0.05     0.00   0.00   0.00
     5   6    -0.00  -0.01  -0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.00   0.00  -0.00
     7   6     0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
     8   6     0.00   0.00  -0.01     0.00   0.00   0.00     0.04   0.02   0.01
     9   1     0.00   0.00   0.00    -0.03  -0.01  -0.01    -0.00  -0.00  -0.00
    10   1    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    11   1    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   1    -0.02  -0.01  -0.01     0.75   0.32   0.43    -0.01  -0.00  -0.00
    13   1     0.00  -0.00  -0.01    -0.08   0.05   0.25     0.00  -0.00  -0.00
    14   1     0.00   0.01  -0.00     0.06   0.21  -0.13    -0.00  -0.00   0.00
    15   1    -0.00   0.09   0.05     0.00   0.04   0.02    -0.00  -0.01  -0.01
    16   6     0.02  -0.04  -0.01     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    17   6     0.04  -0.07  -0.02     0.00  -0.00  -0.00     0.00   0.03  -0.08
    18   1    -0.01   0.01  -0.00    -0.01   0.00   0.00    -0.01   0.01  -0.00
    19   1     0.03   0.01   0.03    -0.01  -0.00  -0.01    -0.21  -0.06  -0.20
    20   1    -0.07  -0.05   0.04    -0.00  -0.00   0.00    -0.22  -0.16   0.13
    21   1     0.01  -0.01  -0.00    -0.00  -0.00  -0.00     0.03   0.01   0.01
    22   1     0.02   0.33  -0.04     0.00   0.01  -0.00     0.00  -0.00   0.00
    23   1    -0.25   0.13   0.17    -0.01   0.00   0.00     0.00  -0.00  -0.00
    24   1     0.01  -0.02   0.00     0.00  -0.00   0.01     0.12  -0.17   0.82
    25   1    -0.46   0.22   0.32    -0.01   0.00   0.00    -0.17   0.09   0.10
    26   1     0.01   0.62  -0.08     0.00   0.00  -0.00     0.00  -0.23   0.01
                     70                     71                     72
                      A                      A                      A
 Frequencies --   3128.0291              3132.1987              3149.9978
 Red. masses --      1.0947                 1.1010                 1.0905
 Frc consts  --      6.3106                 6.3642                 6.3750
 IR Inten    --     13.1850                47.5982                24.9582
 RamAct Fr= 1--     51.5884               117.0501               171.8521
  Dep-P Fr= 1--      0.4910                 0.5054                 0.2569
  Dep-U Fr= 1--      0.6587                 0.6715                 0.4088
 Alpha2 Fr= 1--      0.2655                 0.5635                 1.9975
 Beta2  Fr= 1--      5.6632                13.0989                11.7094
 AlphaG Fr= 1--      0.3991                -0.0220                -0.1420
 Gamma2 Fr= 1--      5.2507                -1.9523                 1.3477
 Delta2 Fr= 1--     -0.2441                 2.0864                 1.3625
 Raman1 Fr= 1--     206.353                468.200                687.408
 ROA1   Fr= 1--     496.258               -120.654                172.978
 CID1   Fr= 1--       2.405                 -0.258                  0.252
 Raman2 Fr= 1--      67.959                157.187                140.513
 ROA2   Fr= 1--     127.969                -63.546                 21.444
 CID2   Fr= 1--       1.883                 -0.404                  0.153
 Raman3 Fr= 1--     135.917                314.374                281.026
 ROA3   Fr= 1--     496.258               -120.654                172.978
 CID3   Fr= 1--       3.651                 -0.384                  0.616
 RC180  Fr= 1--       0.317                  0.343                 -0.182
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.07  -0.03  -0.04
     2   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     8   6     0.01   0.00   0.00    -0.07  -0.03  -0.03     0.00   0.00   0.00
     9   1     0.01   0.00   0.00     0.02   0.01   0.01     0.83   0.31   0.45
    10   1     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.02  -0.01
    11   1    -0.00   0.00   0.01     0.00   0.00   0.00    -0.01   0.01   0.02
    12   1     0.00   0.00   0.00     0.01   0.00   0.00     0.03   0.01   0.02
    13   1    -0.00   0.00   0.00    -0.00   0.00   0.01     0.00  -0.00   0.00
    14   1     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    15   1    -0.00  -0.00   0.00    -0.00   0.05   0.02    -0.00  -0.01  -0.01
    16   6    -0.08  -0.03  -0.02    -0.01  -0.00  -0.00     0.00   0.00   0.00
    17   6     0.00  -0.00   0.01    -0.00   0.01  -0.03     0.00  -0.00   0.00
    18   1    -0.00   0.00   0.00     0.04  -0.03  -0.00    -0.01   0.00  -0.00
    19   1    -0.06  -0.02  -0.05     0.59   0.17   0.53    -0.01  -0.00  -0.01
    20   1    -0.01  -0.01   0.01     0.29   0.21  -0.18    -0.00  -0.00   0.00
    21   1     0.82   0.30   0.37     0.08   0.03   0.04    -0.01  -0.00  -0.00
    22   1    -0.01   0.20  -0.03    -0.00   0.02  -0.00    -0.00  -0.00   0.00
    23   1     0.14  -0.09  -0.11     0.01  -0.01  -0.01    -0.00   0.00   0.00
    24   1    -0.01   0.01  -0.06     0.06  -0.08   0.37    -0.00   0.00  -0.00
    25   1     0.01  -0.01  -0.00    -0.06   0.03   0.04    -0.00   0.00   0.00
    26   1     0.00   0.02   0.00     0.00  -0.08   0.00    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  6 and mass  12.00000
 Atom     9 has atomic number  1 and mass   1.00783
 Atom    10 has atomic number  1 and mass   1.00783
 Atom    11 has atomic number  1 and mass   1.00783
 Atom    12 has atomic number  1 and mass   1.00783
 Atom    13 has atomic number  1 and mass   1.00783
 Atom    14 has atomic number  1 and mass   1.00783
 Atom    15 has atomic number  1 and mass   1.00783
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  6 and mass  12.00000
 Atom    18 has atomic number  1 and mass   1.00783
 Atom    19 has atomic number  1 and mass   1.00783
 Atom    20 has atomic number  1 and mass   1.00783
 Atom    21 has atomic number  1 and mass   1.00783
 Atom    22 has atomic number  1 and mass   1.00783
 Atom    23 has atomic number  1 and mass   1.00783
 Atom    24 has atomic number  1 and mass   1.00783
 Atom    25 has atomic number  1 and mass   1.00783
 Atom    26 has atomic number  1 and mass   1.00783
 Molecular mass:   136.12520 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --   927.017381463.814421595.54340
           X            0.99999  -0.00503   0.00113
           Y            0.00502   0.99996   0.00796
           Z           -0.00117  -0.00796   0.99997
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.09343     0.05917     0.05428
 Rotational constants (GHZ):           1.94683     1.23290     1.13111
 Zero-point vibrational energy     617927.4 (Joules/Mol)
                                  147.68819 (Kcal/Mol)
 Warning -- explicit consideration of  14 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:    178.96   261.98   280.58   293.83   323.92
          (Kelvin)            380.22   441.87   484.58   562.48   571.34
                              619.28   672.20   704.53   832.13   905.18
                              974.91  1128.17  1165.03  1193.72  1227.77
                             1295.78  1327.34  1355.44  1374.39  1403.39
                             1404.93  1472.23  1493.27  1526.75  1534.36
                             1563.50  1599.04  1624.40  1658.45  1717.41
                             1746.25  1776.10  1788.08  1803.28  1843.79
                             1868.41  1929.07  1958.99  1974.22  2018.37
                             2033.60  2045.54  2125.97  2128.56  2135.01
                             2141.23  2149.07  2158.88  2179.41  2185.47
                             2478.09  4316.83  4328.72  4342.19  4347.71
                             4357.19  4384.19  4393.38  4408.95  4416.23
                             4423.73  4427.20  4458.35  4474.50  4500.54
                             4506.54  4532.14
 
 Zero-point correction=                           0.235356 (Hartree/Particle)
 Thermal correction to Energy=                    0.245170
 Thermal correction to Enthalpy=                  0.246114
 Thermal correction to Gibbs Free Energy=         0.201678
 Sum of electronic and zero-point Energies=           -390.613306
 Sum of electronic and thermal Energies=              -390.603492
 Sum of electronic and thermal Enthalpies=            -390.602548
 Sum of electronic and thermal Free Energies=         -390.646984
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  153.846             40.194             93.523
 Electronic               0.000              0.000              0.000
 Translational            0.889              2.981             40.637
 Rotational               0.889              2.981             29.161
 Vibrational            152.069             34.232             23.725
 Vibration     1          0.610              1.929              3.031
 Vibration     2          0.630              1.864              2.307
 Vibration     3          0.636              1.847              2.180
 Vibration     4          0.640              1.834              2.095
 Vibration     5          0.650              1.803              1.917
 Vibration     6          0.671              1.738              1.633
 Vibration     7          0.697              1.660              1.378
 Vibration     8          0.718              1.602              1.227
 Vibration     9          0.759              1.490              0.997
 Vibration    10          0.764              1.476              0.973
 Vibration    11          0.792              1.404              0.857
 Vibration    12          0.824              1.323              0.745
 Vibration    13          0.846              1.273              0.684
 Vibration    14          0.935              1.078              0.488
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.171709D-92        -92.765208       -213.599785
 Total V=0       0.309734D+16         15.490989         35.669321
 Vib (Bot)       0.522208-106       -106.282156       -244.723709
 Vib (Bot)    1  0.164124D+01          0.215173          0.495455
 Vib (Bot)    2  0.110226D+01          0.042285          0.097365
 Vib (Bot)    3  0.102439D+01          0.010466          0.024099
 Vib (Bot)    4  0.974768D+00         -0.011099         -0.025556
 Vib (Bot)    5  0.876683D+00         -0.057158         -0.131610
 Vib (Bot)    6  0.733426D+00         -0.134644         -0.310028
 Vib (Bot)    7  0.616729D+00         -0.209906         -0.483325
 Vib (Bot)    8  0.552439D+00         -0.257716         -0.593413
 Vib (Bot)    9  0.458916D+00         -0.338267         -0.778889
 Vib (Bot)   10  0.449793D+00         -0.346987         -0.798967
 Vib (Bot)   11  0.404674D+00         -0.392894         -0.904673
 Vib (Bot)   12  0.361879D+00         -0.441436         -1.016445
 Vib (Bot)   13  0.338699D+00         -0.470186         -1.082644
 Vib (Bot)   14  0.263907D+00         -0.578549         -1.332159
 Vib (V=0)       0.941978D+02          1.974041          4.545396
 Vib (V=0)    1  0.221572D+01          0.345514          0.795576
 Vib (V=0)    2  0.171036D+01          0.233089          0.536707
 Vib (V=0)    3  0.163990D+01          0.214818          0.494637
 Vib (V=0)    4  0.159552D+01          0.202903          0.467202
 Vib (V=0)    5  0.150924D+01          0.178759          0.411609
 Vib (V=0)    6  0.138765D+01          0.142278          0.327608
 Vib (V=0)    7  0.129395D+01          0.111917          0.257699
 Vib (V=0)    8  0.124511D+01          0.095208          0.219224
 Vib (V=0)    9  0.117868D+01          0.071395          0.164393
 Vib (V=0)   10  0.117254D+01          0.069129          0.159175
 Vib (V=0)   11  0.114324D+01          0.058138          0.133869
 Vib (V=0)   12  0.111722D+01          0.048137          0.110841
 Vib (V=0)   13  0.110392D+01          0.042937          0.098866
 Vib (V=0)   14  0.106537D+01          0.027502          0.063325
 Electronic      0.100000D+01          0.000000          0.000000
 Translational   0.624254D+08          7.795362         17.949484
 Rotational      0.526729D+06          5.721587         13.174441
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6          -0.000020756    0.000016571   -0.000003148
      2        6           0.000002715   -0.000033736    0.000014781
      3        6          -0.000039220    0.000021345   -0.000006710
      4        6          -0.000000937    0.000001069   -0.000000928
      5        6           0.000081735    0.000008569    0.000036076
      6        6          -0.000020464    0.000016095   -0.000040666
      7        6          -0.000007164    0.000024953    0.000020334
      8        6          -0.000000954   -0.000032311   -0.000023921
      9        1          -0.000002528   -0.000001739   -0.000001447
     10        1           0.000002334   -0.000001214   -0.000000994
     11        1           0.000007878    0.000003379    0.000000668
     12        1           0.000002619   -0.000003657   -0.000003788
     13        1           0.000000185   -0.000001572   -0.000002097
     14        1          -0.000000453   -0.000003442   -0.000001043
     15        1          -0.000002661   -0.000000993    0.000001116
     16        6          -0.000008622    0.000000885   -0.000002009
     17        6           0.000009320    0.000005739   -0.000004485
     18        1           0.000000273    0.000000900    0.000004453
     19        1          -0.000007618   -0.000004873   -0.000015285
     20        1           0.000000492    0.000003088   -0.000002365
     21        1           0.000003390   -0.000026953    0.000019612
     22        1           0.000000131    0.000001526   -0.000002214
     23        1          -0.000000722    0.000000653    0.000005664
     24        1           0.000003820    0.000004735    0.000002413
     25        1          -0.000001258    0.000002318   -0.000001236
     26        1          -0.000001535   -0.000001338    0.000007220
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000081735 RMS     0.000015694
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.125728D+03 -0.624060D+00  0.465163D+00
      2  -0.624060D+00  0.122050D+03  0.482918D+01
      3   0.465163D+00  0.482918D+01  0.109147D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.260116D+00  0.290997D+01  0.525882D+01
      2   0.456348D+01  0.162939D+02 -0.357952D+01
      3   0.854066D+01 -0.245482D+02 -0.154815D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.129516D+02 -0.407826D+02  0.923391D+00
      2   0.528330D+01  0.208519D+02  0.812041D+01
      3  -0.182349D+02  0.199307D+02 -0.904380D+01
      4  -0.409997D+02  0.368984D+02  0.275786D+02
      5   0.139328D+02  0.248701D+02 -0.203545D+02
      6   0.103345D+02  0.187098D+02  0.796539D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.363454D+01  0.222612D+00 -0.178165D+01  0.255954D+01 -0.920267D+00
      2   0.222612D+00 -0.801349D+00 -0.263973D+01 -0.920267D+00  0.167264D+02
      3  -0.178165D+01 -0.263973D+01 -0.215539D+01 -0.221870D+01  0.333085D+01
                 6             7             8             9            10 
      1  -0.221870D+01 -0.123990D+01 -0.327142D+01 -0.184410D+01  0.820898D+00
      2   0.333085D+01 -0.327142D+01  0.250394D+01  0.371710D+01  0.556777D+00
      3   0.327791D+01 -0.184410D+01  0.371710D+01  0.558517D+01  0.376273D+00
                11            12            13            14            15 
      1   0.556777D+00  0.376273D+00  0.155070D+01  0.376036D+00  0.221391D+01
      2   0.106744D+01  0.344771D+01  0.376036D+00 -0.121124D+02  0.336260D+00
      3   0.344771D+01  0.288911D+01  0.221391D+01  0.336260D+00 -0.131510D+01
                16            17            18            19            20 
      1   0.120380D+01  0.326611D+01  0.293824D+01  0.240351D+01 -0.269661D+01
      2   0.326611D+01  0.232696D+01 -0.404899D+01 -0.269661D+01  0.140985D+01
      3   0.293824D+01 -0.404899D+01 -0.590954D+01 -0.540031D+00  0.116308D+01
                21            22            23            24            25 
      1  -0.540031D+00 -0.298696D+01  0.157578D+01  0.148557D+01 -0.127381D+01
      2   0.116308D+01  0.157578D+01 -0.167225D+02 -0.445891D+01  0.670859D+00
      3   0.772000D+00  0.148557D+01 -0.445891D+01 -0.443129D+01  0.159104D+01
                26            27            28            29            30 
      1   0.670859D+00  0.159104D+01 -0.517275D+01 -0.373674D+00 -0.118281D+01
      2  -0.474354D+01 -0.394740D+01 -0.373674D+00 -0.607248D+00 -0.283626D+01
      3  -0.394740D+01 -0.457137D+01 -0.118281D+01 -0.283626D+01 -0.266207D+01
                31            32            33            34            35 
      1  -0.232236D+01 -0.293215D+01 -0.283109D+01 -0.141361D+01 -0.294228D+01
      2  -0.293215D+01  0.105213D+02 -0.196875D+00 -0.294228D+01 -0.649308D+00
      3  -0.283109D+01 -0.196875D+00  0.174858D+01 -0.460582D+01  0.414759D+01
                36            37            38            39            40 
      1  -0.460582D+01  0.512576D+01  0.186398D+01 -0.284549D+01 -0.242337D+01
      2   0.414759D+01  0.186398D+01  0.106872D+01 -0.105710D+01 -0.122396D+00
      3   0.489365D+01 -0.284549D+01 -0.105710D+01  0.400352D+01 -0.204097D+01
                41            42            43            44            45 
      1  -0.122396D+00 -0.204097D+01 -0.662956D+01 -0.117576D+01  0.257694D+01
      2   0.439320D+01  0.426758D+01 -0.117576D+01  0.353864D+01  0.334239D+00
      3   0.426758D+01 -0.193365D+01  0.257694D+01  0.334239D+00  0.451357D+00
                46            47            48            49            50 
      1  -0.422863D+01  0.160261D+01  0.539442D+01  0.380908D+01 -0.172796D+01
      2   0.160261D+01 -0.167860D+01  0.694477D+00 -0.172796D+01 -0.852418D+01
      3   0.539442D+01  0.694477D+00 -0.198222D+01  0.129351D+01  0.166191D+01
                51            52            53            54            55 
      1   0.129351D+01  0.865662D+01  0.108469D+01 -0.154686D+01  0.304882D+01
      2   0.166191D+01  0.108469D+01  0.287356D+01  0.177605D+01 -0.429166D+01
      3   0.118631D+01 -0.154686D+01  0.177605D+01 -0.298512D+01 -0.154485D+01
                56            57            58            59            60 
      1  -0.429166D+01 -0.154485D+01 -0.373704D+01  0.512969D+01 -0.190443D+01
      2   0.473197D+01 -0.149319D+01  0.512969D+01  0.381011D+01 -0.276162D+01
      3  -0.149319D+01 -0.167941D+01 -0.190443D+01 -0.276162D+01  0.346742D+01
                61            62            63            64            65 
      1  -0.182931D+01 -0.190452D+01 -0.172928D+01  0.418623D+00 -0.108325D+01
      2  -0.190452D+01 -0.356200D+01  0.160302D+01 -0.108325D+01 -0.249056D+01
      3  -0.172928D+01  0.160302D+01  0.354519D+01  0.385182D+01  0.410781D+01
                66            67            68            69            70 
      1   0.385182D+01  0.756415D+00 -0.202480D+01  0.482989D+01  0.310438D+01
      2   0.410781D+01 -0.202480D+01  0.132320D+01 -0.101249D+01  0.307528D+01
      3   0.782000D+00  0.482989D+01 -0.101249D+01 -0.890543D+00  0.114536D+01
                71            72            73            74            75 
      1   0.307528D+01  0.114536D+01  0.811437D+01  0.269907D+01  0.347859D+01
      2  -0.859675D+00 -0.157007D+01  0.269907D+01  0.126653D+01  0.139088D+01
      3  -0.157007D+01 -0.462631D+00  0.347859D+01  0.139088D+01  0.230481D+01
                76            77            78            79            80 
      1   0.203222D+01  0.141795D+01  0.990507D+00  0.345749D+01  0.172416D+01
      2   0.141795D+01  0.210743D+01  0.154204D+01  0.172416D+01  0.202758D+01
      3   0.990507D+00  0.154204D+01  0.133090D+01  0.235523D+01  0.898169D+00
                81            82            83            84            85 
      1   0.235523D+01  0.927051D+00  0.142833D+01 -0.372959D+00  0.139182D+01
      2   0.898169D+00  0.142833D+01  0.217030D+01 -0.276928D+00  0.111619D+01
      3   0.139196D+01 -0.372959D+00 -0.276928D+00 -0.140291D+00 -0.305461D+00
                86            87            88            89            90 
      1   0.111619D+01 -0.305461D+00 -0.798964D+00 -0.768053D+00 -0.130634D+00
      2   0.140155D+02 -0.882699D+00 -0.768053D+00 -0.387869D+01  0.218437D+01
      3  -0.882699D+00  0.930406D+00 -0.130634D+00  0.218437D+01 -0.364832D-01
                91            92            93            94            95 
      1  -0.126575D+01  0.754509D+00  0.144461D+01  0.189733D+00 -0.762511D+00
      2   0.754509D+00 -0.838724D+00 -0.126535D+01 -0.762511D+00  0.373364D+01
      3   0.144461D+01 -0.126535D+01 -0.188791D+01 -0.558438D+00  0.214482D+01
                96            97            98            99           100 
      1  -0.558438D+00  0.164520D+01 -0.156367D+01 -0.182307D+01  0.915719D+01
      2   0.214482D+01 -0.156367D+01  0.375866D+01  0.461641D+01 -0.130519D+00
      3   0.177082D+01 -0.182307D+01  0.461641D+01  0.842664D+01  0.218345D+01
               101           102           103           104           105 
      1  -0.130519D+00  0.218345D+01  0.314531D+01  0.613458D+00  0.689504D+00
      2   0.831312D+00  0.103493D+00  0.613458D+00  0.319787D+00  0.474513D+00
      3   0.103493D+00  0.159696D+01  0.689504D+00  0.474513D+00  0.474394D+00
               106           107           108           109           110 
      1   0.393942D+01 -0.200165D+00  0.226712D+01  0.245812D+01 -0.990203D+00
      2  -0.200165D+00  0.798734D+00 -0.218853D+00 -0.990203D+00  0.397296D+00
      3   0.226712D+01 -0.218853D+00  0.117253D+01 -0.169158D+01  0.100404D+01
               111           112           113           114           115 
      1  -0.169158D+01 -0.869613D+00  0.187175D+01  0.110299D+01 -0.380808D+01
      2   0.100404D+01  0.187175D+01 -0.337375D+01 -0.163661D+01  0.312390D+01
      3   0.176704D+01  0.110299D+01 -0.163661D+01 -0.166471D+01  0.377661D+01
               116           117           118           119           120 
      1   0.312390D+01  0.377661D+01 -0.333185D+00 -0.430318D+00  0.512512D+00
      2  -0.337530D+01 -0.381236D+01 -0.430318D+00 -0.203550D+01  0.445603D+00
      3  -0.381236D+01 -0.749150D+01  0.512512D+00  0.445603D+00 -0.105542D+00
               121           122           123           124           125 
      1  -0.203852D+01  0.211672D+01  0.315713D+00  0.958648D+00 -0.192316D+00
      2   0.211672D+01 -0.108332D+02  0.180939D+01 -0.192316D+00  0.328236D+01
      3   0.315713D+00  0.180939D+01 -0.142138D+01  0.775207D+00 -0.240714D+01
               126           127           128           129           130 
      1   0.775207D+00  0.353339D+00 -0.995991D+00 -0.593866D-01 -0.160598D+01
      2  -0.240714D+01 -0.995991D+00 -0.438445D+00  0.918446D-01  0.790706D+00
      3   0.575633D+00 -0.593866D-01  0.918446D-01 -0.218485D+00  0.420513D+00
               131           132           133           134           135 
      1   0.790706D+00  0.420513D+00  0.281219D-01  0.514033D+00  0.102872D+00
      2  -0.784765D+01 -0.341820D+01  0.514033D+00 -0.287171D+01 -0.222245D+01
      3  -0.341820D+01 -0.220110D+01  0.102872D+00 -0.222245D+01 -0.225830D+01
               136           137           138           139           140 
      1  -0.650167D+00 -0.240454D+01 -0.470817D+01 -0.331714D+01  0.974913D+00
      2  -0.240454D+01  0.547822D+00  0.171193D+00  0.974913D+00  0.676558D+01
      3  -0.470817D+01  0.171193D+00  0.137120D+01  0.313119D+00 -0.280729D+01
               141           142           143           144           145 
      1   0.313119D+00 -0.477526D+01  0.141704D+00  0.156837D+01  0.194237D+01
      2  -0.280729D+01  0.141704D+00 -0.147699D+01 -0.195949D+01 -0.296968D+01
      3  -0.200950D+01  0.156837D+01 -0.195949D+01  0.216916D+01 -0.412188D+01
               146           147           148           149           150 
      1  -0.296968D+01 -0.412188D+01 -0.474262D+01  0.175659D+01 -0.390131D+00
      2   0.119532D+00 -0.299572D+00  0.175659D+01  0.764227D+01 -0.985619D+00
      3  -0.299572D+00  0.136461D+01 -0.390131D+00 -0.985619D+00 -0.202568D+01
               151           152           153           154           155 
      1  -0.547466D+01 -0.252179D+00  0.226760D+01 -0.703074D+01  0.459542D+01
      2  -0.252179D+00 -0.138222D+01 -0.154931D+01  0.459542D+01 -0.426625D+01
      3   0.226760D+01 -0.154931D+01  0.469011D+01  0.778529D-01  0.285514D+00
               156           157           158           159           160 
      1   0.778529D-01  0.332744D+01 -0.359093D+01  0.415950D+00  0.317191D+00
      2   0.285514D+00 -0.359093D+01  0.435448D+01  0.616465D-01  0.305836D+00
      3  -0.661799D+00  0.415950D+00  0.616465D-01  0.368501D+00 -0.954817D+00
               161           162           163           164           165 
      1   0.305836D+00 -0.954817D+00 -0.412906D+01 -0.353283D+00 -0.339076D+01
      2   0.250258D+00  0.931627D+00 -0.353283D+00 -0.547829D+00 -0.175484D+00
      3   0.931627D+00 -0.219382D+00 -0.339076D+01 -0.175484D+00 -0.426848D+01
               166           167           168           169           170 
      1  -0.932862D+00 -0.656724D+00 -0.695986D+00 -0.272797D+01 -0.243401D+00
      2  -0.656724D+00 -0.439080D+00 -0.714829D+00 -0.243401D+00 -0.490251D+00
      3  -0.695986D+00 -0.714829D+00 -0.684252D+00 -0.350204D+01 -0.413095D-01
               171           172           173           174           175 
      1  -0.350204D+01  0.318555D+01  0.166820D+01 -0.281986D+01  0.120163D+01
      2  -0.413095D-01  0.166820D+01  0.194704D+01 -0.218844D+01  0.147708D+01
      3  -0.647371D+01 -0.281986D+01 -0.218844D+01  0.351779D+01 -0.167424D+01
               176           177           178           179           180 
      1   0.147708D+01 -0.167424D+01 -0.135492D+01 -0.942121D+00  0.156515D+01
      2   0.242974D+01 -0.204512D+01 -0.942121D+00 -0.110292D+01  0.180975D+01
      3  -0.204512D+01  0.263697D+01  0.156515D+01  0.180975D+01 -0.417929D+01
               181           182           183           184           185 
      1   0.463847D+01  0.103165D+01  0.151858D+01  0.158975D+01  0.595797D+00
      2   0.103165D+01  0.920964D+00 -0.248530D+00  0.595797D+00 -0.136724D+00
      3   0.151858D+01 -0.248530D+00  0.308866D+01 -0.136503D-01  0.594312D+00
               186           187           188           189           190 
      1  -0.136503D-01  0.180384D+01  0.955609D-01  0.162578D+01 -0.397602D+00
      2   0.594312D+00  0.955609D-01  0.606290D+00  0.546988D+00 -0.857643D+00
      3   0.131909D+01  0.162578D+01  0.546988D+00  0.222489D+01  0.948545D+00
               191           192           193           194           195 
      1  -0.857643D+00  0.948545D+00 -0.105677D+01 -0.112248D+01  0.437695D+00
      2  -0.426519D+00  0.158385D+00 -0.112248D+01 -0.852539D+01  0.345009D+01
      3   0.158385D+00 -0.499303D+00  0.437695D+00  0.345009D+01 -0.273242D+01
               196           197           198           199           200 
      1   0.382499D+00  0.751063D-01 -0.341649D+00 -0.479365D+01  0.843507D+00
      2   0.751063D-01  0.104881D+01 -0.122116D+01  0.843507D+00 -0.105727D+01
      3  -0.341649D+00 -0.122116D+01  0.102674D+01  0.380253D+01 -0.353026D+00
               201           202           203           204           205 
      1   0.380253D+01  0.197939D+01 -0.104942D+01 -0.131532D+01  0.247763D+01
      2  -0.353026D+00 -0.104942D+01  0.234913D+00  0.121992D+01 -0.450904D+00
      3  -0.414898D+01 -0.131532D+01  0.121992D+01  0.209163D+01 -0.275806D+01
               206           207           208           209           210 
      1  -0.450904D+00 -0.275806D+01 -0.116548D+01  0.485090D+00 -0.115386D+01
      2   0.738774D+00  0.695142D+00  0.485090D+00 -0.613839D-01 -0.518339D-02
      3   0.695142D+00  0.402261D+01 -0.115386D+01 -0.518339D-02 -0.152430D+01
               211           212           213           214           215 
      1   0.115359D+01 -0.320745D+00  0.165062D+00 -0.237170D+01 -0.482695D+00
      2  -0.320745D+00 -0.322153D+00 -0.766021D+00 -0.482695D+00 -0.108730D+01
      3   0.165062D+00 -0.766021D+00  0.799681D+00 -0.252177D+01  0.277747D+00
               216           217           218           219           220 
      1  -0.252177D+01 -0.884925D+01  0.651275D+00  0.226093D+01  0.369554D+01
      2   0.277747D+00  0.651275D+00 -0.970484D+00 -0.279869D+00 -0.138146D+01
      3  -0.682435D+01  0.226093D+01 -0.279869D+00 -0.147946D+01 -0.618934D+00
               221           222           223           224           225 
      1  -0.138146D+01 -0.618934D+00  0.480853D+01 -0.383253D-01 -0.214954D+01
      2   0.874742D-01  0.549802D+00 -0.383253D-01  0.886167D+00  0.400038D+00
      3   0.549802D+00  0.879118D+00 -0.214954D+01  0.400038D+00  0.136491D+01
               226           227           228           229           230 
      1  -0.943261D+00 -0.825664D+00  0.363180D+00 -0.234893D+01 -0.320083D+01
      2  -0.825664D+00 -0.258639D+00  0.546227D-01 -0.320083D+01 -0.962803D+01
      3   0.363180D+00  0.546227D-01 -0.440532D-01 -0.106585D+00  0.243143D+00
               231           232           233           234 
      1  -0.106585D+00  0.914373D+00  0.350586D+00 -0.647905D+00
      2   0.243143D+00  0.350586D+00  0.839167D+00 -0.939717D+00
      3  -0.972116D+00 -0.647905D+00 -0.939717D+00 -0.128873D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.144168D+01  0.123263D+01  0.114556D+00  0.271075D+01  0.994839D+01
      2   0.211687D+01 -0.189859D+01 -0.217836D+01  0.658149D+00  0.978871D+01
      3  -0.287280D+01 -0.502731D+01  0.167935D+01  0.175115D+01 -0.458266D+02
                 6             7             8             9            10 
      1  -0.129346D+01  0.136254D+01  0.522369D+01  0.352667D+00 -0.687561D+00
      2   0.117542D+02 -0.944971D+01  0.145269D+02  0.164123D+02 -0.838175D+00
      3  -0.131894D+02  0.161439D+01 -0.106925D+02 -0.144420D+02  0.393919D+01
                11            12            13            14            15 
      1  -0.746616D+01 -0.407556D+01 -0.371897D+01 -0.179387D+02  0.207615D+00
      2   0.270886D+01  0.243557D+01  0.201740D+00 -0.509166D+01 -0.187394D+01
      3  -0.547100D+01 -0.348779D+01  0.415002D+01  0.960592D+01  0.644981D+01
                16            17            18            19            20 
      1  -0.621991D+01  0.182945D+02  0.144509D+02 -0.153629D+01 -0.212594D+01
      2  -0.634249D+00 -0.250109D+01 -0.534897D+01 -0.163111D+01  0.599030D+01
      3  -0.143663D+01  0.107363D+02  0.114732D+02  0.107116D+02 -0.712743D+01
                21            22            23            24            25 
      1  -0.298529D+00 -0.209384D+01 -0.125856D+02 -0.307921D+01 -0.276760D+01
      2   0.150067D+01  0.441124D+01 -0.114176D+02 -0.130718D+02 -0.598438D+01
      3  -0.440306D+01  0.287361D+01  0.450712D+02  0.146264D+02 -0.315064D+01
                26            27            28            29            30 
      1   0.482313D+01  0.255937D+01 -0.125231D+01 -0.615308D+01 -0.507885D+01
      2  -0.112088D+02 -0.174396D+02 -0.542345D+01 -0.933319D+01 -0.626077D+01
      3   0.148500D+02  0.116235D+02  0.115138D+02 -0.179731D+01  0.105580D+02
                31            32            33            34            35 
      1  -0.315895D+01 -0.688942D+01  0.252290D+01 -0.116311D+02  0.151500D+02
      2  -0.898729D+01 -0.246966D+01  0.419772D+01 -0.174446D+02  0.146392D+02
      3   0.153012D+02 -0.319724D+02  0.551006D+01  0.108696D+02  0.105195D+02
                36            37            38            39            40 
      1   0.101590D+02 -0.105656D+01  0.523481D+00  0.559036D+01 -0.476045D+01
      2   0.151569D+02  0.979307D+01  0.310913D+01  0.320814D+01 -0.352312D+01
      3  -0.442360D+01 -0.152018D+02 -0.805450D+01 -0.117462D+01  0.809860D+01
                41            42            43            44            45 
      1   0.130565D+01 -0.118546D+02  0.848061D+01 -0.518325D-01  0.542844D+01
      2   0.245365D+01 -0.550467D+01 -0.102822D+02 -0.443530D+01  0.490603D+01
      3   0.278196D+01  0.331802D+01  0.566752D+01 -0.234193D+00 -0.676407D+01
                46            47            48            49            50 
      1   0.478500D+01 -0.520878D+00 -0.241139D+01 -0.906285D+00 -0.165003D+01
      2  -0.147183D+02 -0.309266D+01  0.664263D+01  0.107464D+01 -0.172116D+01
      3   0.135228D+02 -0.568294D+01 -0.191271D+01 -0.324176D+01 -0.173506D+02
                51            52            53            54            55 
      1  -0.159486D+01 -0.286887D+01  0.748246D+01 -0.315480D+01  0.307272D+01
      2  -0.717952D+00  0.273694D+00 -0.381308D+01  0.739588D+01  0.291151D+01
      3   0.234440D+01 -0.840068D+01  0.277495D+01  0.553232D+01 -0.456140D+01
                56            57            58            59            60 
      1   0.255573D+01  0.675840D+01  0.312900D+01  0.435631D+01 -0.686533D+01
      2   0.177705D+01  0.433699D+01  0.174633D+01  0.296997D+01 -0.410875D+01
      3  -0.558637D+01 -0.376906D+01  0.389597D+01  0.130579D+02 -0.582322D+01
                61            62            63            64            65 
      1   0.467181D+01  0.293343D+00 -0.964413D+01 -0.289131D+01  0.298745D+01
      2  -0.213668D+01 -0.238476D+01 -0.521755D+01 -0.589025D+00 -0.432208D+01
      3  -0.550054D+01 -0.727349D+01 -0.143086D+01  0.266377D+01 -0.417765D+01
                66            67            68            69            70 
      1  -0.132942D+02  0.641881D+01 -0.205060D+01  0.813641D+01 -0.110975D+02
      2   0.107624D+02 -0.546166D+00 -0.465477D+01  0.151986D+02  0.333340D+01
      3   0.710516D+01 -0.223491D+01 -0.212993D+01 -0.151829D+01  0.520380D+01
                71            72            73            74            75 
      1   0.833513D+01  0.231129D+01 -0.222032D+01  0.301679D+00 -0.291867D+01
      2   0.946146D+01  0.484015D+01 -0.452464D+00  0.123091D+01  0.567224D+01
      3   0.315579D+00  0.112071D+01  0.553121D+01 -0.192932D+01  0.153059D+01
                76            77            78            79            80 
      1  -0.432635D+00 -0.637399D+00 -0.116474D+01 -0.174992D+01  0.265036D+01
      2  -0.117291D+00  0.299551D+01  0.286307D+01  0.475623D+00 -0.150823D+01
      3   0.132232D+01 -0.233348D+01 -0.159113D+01  0.148551D+01 -0.421167D+01
                81            82            83            84            85 
      1  -0.119372D+01  0.170510D+01  0.274980D+01 -0.384482D-03  0.412465D+00
      2   0.110920D+01 -0.802847D+00 -0.264619D+00  0.154280D+01 -0.130548D+01
      3   0.144621D+01  0.217319D+01  0.131476D+01 -0.701124D+00  0.728248D+01
                86            87            88            89            90 
      1   0.136413D+02 -0.617701D+01  0.678059D+00 -0.794008D+01  0.247865D+01
      2   0.175279D+01  0.682509D+00 -0.557388D+00  0.724289D+00  0.334760D+00
      3  -0.572886D+01 -0.458703D+00 -0.280251D+01 -0.335173D+00 -0.195705D+01
                91            92            93            94            95 
      1  -0.316423D+01  0.194421D+01  0.431255D+01  0.353236D+00 -0.485867D+00
      2   0.229521D+01 -0.128635D+01 -0.987338D+00 -0.825662D+00  0.246091D+01
      3  -0.466355D+01  0.612442D+00  0.427741D+01  0.235125D+01 -0.436877D+01
                96            97            98            99           100 
      1  -0.288217D+01  0.349427D+01 -0.479783D+01 -0.178626D+02  0.399110D+01
      2   0.769951D+00 -0.557818D+01  0.281696D+01  0.430231D+01  0.791571D+01
      3  -0.288371D+01  0.817332D+01 -0.690994D+01 -0.769360D+01 -0.132243D+02
               101           102           103           104           105 
      1   0.894908D+00  0.263355D+01  0.887703D+00  0.119105D+01 -0.110440D+00
      2   0.258216D+00  0.802405D+01  0.205798D+01  0.145930D+01  0.216546D+01
      3  -0.539670D+01 -0.403589D+01 -0.372820D+01 -0.275929D+01 -0.241813D+01
               106           107           108           109           110 
      1   0.290342D+01  0.681002D+00  0.136272D+01 -0.266084D+01  0.179297D+01
      2   0.534388D+01 -0.264758D-01  0.470697D+01 -0.340394D+01  0.263804D+01
      3  -0.543218D+01 -0.357986D+01 -0.223695D+01 -0.715503D+00 -0.193820D+01
               111           112           113           114           115 
      1   0.350788D+01  0.191448D+01 -0.997591D+00 -0.362199D+01  0.676967D+01
      2   0.554681D+01  0.282665D+01 -0.424342D+01 -0.490789D+01  0.720980D+01
      3  -0.130610D+01 -0.274154D+01  0.786169D+01  0.307947D+01 -0.224481D+01
               116           117           118           119           120 
      1  -0.485013D+01 -0.131369D+02  0.461337D+00  0.224784D+01 -0.444913D+00
      2  -0.968667D+01 -0.215394D+02  0.145221D+01  0.225589D+01  0.431825D+00
      3   0.570885D+01  0.550706D+01  0.223343D+01  0.605012D+01 -0.254699D+01
               121           122           123           124           125 
      1  -0.894928D+00  0.668426D+01 -0.557189D+01  0.164301D+01 -0.489239D+01
      2   0.126982D+01  0.510936D+01 -0.428794D+01  0.733937D+00 -0.599314D+01
      3  -0.605618D+00  0.305897D+02 -0.626733D+01 -0.197287D+01 -0.106364D+02
               126           127           128           129           130 
      1   0.193933D+01  0.129931D+01 -0.274662D+00 -0.202490D+00 -0.546447D+00
      2   0.204923D+01  0.973030D+00 -0.907637D+00  0.109833D+01 -0.295002D+01
      3   0.583714D+01 -0.606346D+00 -0.411847D+00 -0.295700D+00  0.594111D+01
               131           132           133           134           135 
      1   0.581567D+01 -0.248777D+01 -0.240108D+00  0.333215D+01 -0.899296D+00
      2   0.883593D+00  0.219219D+00 -0.236438D+01  0.615737D-01 -0.608615D+00
      3   0.312262D+00 -0.116903D+00  0.899410D+00  0.463033D+00  0.138316D+00
               136           137           138           139           140 
      1  -0.121230D+02  0.477643D+00  0.233356D+01  0.320598D+01  0.138470D+02
      2   0.121288D+02  0.520139D+01  0.117059D+02  0.668936D+01  0.163833D+01
      3  -0.355918D+01  0.486795D+00  0.526097D+01  0.667972D+01  0.953116D+01
               141           142           143           144           145 
      1  -0.129786D+02  0.100716D+01 -0.423040D+01 -0.303584D+01 -0.327370D+01
      2   0.154134D+01  0.704756D+01  0.350029D+01 -0.485858D+01  0.134277D+02
      3  -0.455196D+01  0.436868D+01 -0.261871D+01 -0.398963D+01 -0.147529D+02
               146           147           148           149           150 
      1   0.801856D-01  0.274004D+01 -0.803712D+00 -0.377420D+01 -0.388914D+01
      2  -0.932391D+00 -0.573858D+01 -0.295242D+01  0.275284D+01  0.565766D+01
      3   0.334596D+01  0.409970D+01  0.139924D+02  0.235683D+02 -0.232971D+01
               151           152           153           154           155 
      1   0.487692D+01  0.742851D+00  0.839033D+01 -0.131955D+01  0.671466D+00
      2  -0.158177D+02  0.377998D+01 -0.174687D+02 -0.129366D+01  0.859750D+00
      3   0.549736D+01 -0.305136D+01 -0.798878D+01 -0.744698D+01 -0.172524D+01
               156           157           158           159           160 
      1   0.285117D+01  0.436264D+00 -0.163423D+01 -0.326543D+01  0.138158D+01
      2   0.371039D+01  0.245200D+00 -0.108792D+01 -0.216259D+01 -0.353406D-01
      3   0.237031D+00  0.438011D+01  0.759738D+00  0.678855D+00  0.556489D+00
               161           162           163           164           165 
      1  -0.353973D+00  0.422866D+00  0.388632D+01  0.420764D+01  0.433121D+01
      2  -0.801181D+00  0.167358D+00 -0.110439D+02 -0.170755D+01 -0.389217D+01
      3   0.126306D+01 -0.327823D+00 -0.334964D+01 -0.303994D+01 -0.243880D+01
               166           167           168           169           170 
      1   0.198759D+01  0.193644D+01  0.307205D+00  0.370324D+01  0.337962D+01
      2  -0.273712D+01 -0.102856D+01 -0.175525D+01 -0.768899D+01 -0.135822D+01
      3   0.523448D+00 -0.979900D-01 -0.461259D+00 -0.148102D+01 -0.187761D+01
               171           172           173           174           175 
      1   0.385447D+01 -0.167061D+01 -0.461640D+01  0.520359D+00 -0.251345D+01
      2  -0.338716D+01  0.959913D+01  0.376372D+01 -0.431320D+01  0.435142D+01
      3  -0.163735D+01  0.460550D+01  0.484688D+00 -0.255164D+01  0.418622D+01
               176           177           178           179           180 
      1  -0.367179D+01 -0.181664D+00  0.105614D+01  0.281071D+01 -0.528832D+00
      2   0.369495D+01 -0.412906D+01 -0.537831D+01 -0.326455D+01  0.389182D+01
      3   0.865858D+00 -0.212134D+01 -0.261564D+01 -0.196374D+00  0.226263D+01
               181           182           183           184           185 
      1   0.645585D+01  0.405263D+01  0.112048D+01  0.328449D+01  0.146462D+01
      2  -0.189577D+02 -0.456301D+01 -0.331097D+01 -0.603841D+01 -0.239541D+01
      3  -0.272120D+01 -0.162186D+01 -0.114838D+01  0.976904D+00 -0.341810D+00
               186           187           188           189           190 
      1   0.998796D+00  0.229193D+01  0.279463D+01  0.241410D+01 -0.392453D+00
      2  -0.475999D+00 -0.730415D+01 -0.104330D+01 -0.474780D+01 -0.814022D+00
      3   0.123906D+00 -0.713393D+00 -0.792916D+00 -0.653348D+00 -0.787049D+00
               191           192           193           194           195 
      1  -0.782327D+00 -0.607945D+00 -0.186134D+01 -0.163672D+02  0.101059D+01
      2   0.111191D+01 -0.343920D+00  0.288124D+01 -0.236431D+01  0.295024D+01
      3  -0.634876D+00 -0.561557D+00  0.303265D+01 -0.102913D+02  0.415914D+01
               196           197           198           199           200 
      1  -0.272775D-01  0.316420D+01 -0.157220D+01  0.579427D+01 -0.463540D+01
      2  -0.158524D+01  0.727302D+00 -0.585527D+00  0.604121D+01 -0.185427D+01
      3  -0.539511D+00  0.124640D+01 -0.108520D+01  0.462730D+01 -0.436560D+01
               201           202           203           204           205 
      1  -0.446811D+01 -0.307909D+01  0.241492D+01  0.323593D+01 -0.362534D+01
      2   0.281668D+00 -0.303404D+01 -0.416952D-01 -0.127067D+01 -0.496638D+01
      3  -0.385707D+01 -0.166322D+01  0.189093D+01  0.260533D+01 -0.260051D+01
               206           207           208           209           210 
      1   0.386359D+01  0.509552D+01 -0.191084D+01  0.171452D+00 -0.133432D+01
      2   0.167197D+00 -0.115542D+00  0.266859D+01  0.811109D+00  0.431040D+01
      3   0.231707D+01  0.343053D+01  0.233912D+01 -0.117140D+01  0.107076D+01
               211           212           213           214           215 
      1  -0.803620D-01 -0.903854D+00  0.107857D+01 -0.161432D+01  0.421751D+01
      2   0.148060D+01  0.234946D+01 -0.347036D+01  0.197978D+01 -0.262934D+01
      3  -0.715222D+00 -0.766737D-01 -0.222941D+01  0.800302D+00 -0.393751D+01
               216           217           218           219           220 
      1  -0.881708D+01  0.250790D+01 -0.677378D+00 -0.150852D+01 -0.587289D+00
      2   0.211125D+02 -0.988224D+01  0.128756D+01  0.900372D+01  0.320462D+01
      3   0.416769D+01  0.126197D+02 -0.658242D+01 -0.360338D+01 -0.616079D+01
               221           222           223           224           225 
      1   0.846826D+00 -0.272191D+00 -0.228726D+01  0.112291D+01  0.740552D+00
      2  -0.216401D+01 -0.391832D+01  0.682887D+01 -0.124765D+01 -0.559895D+01
      3   0.256853D+01  0.232340D+01 -0.536976D+01  0.425106D+01  0.383421D+01
               226           227           228           229           230 
      1   0.758959D+00  0.360508D+00 -0.170204D+00  0.465311D+00  0.371832D+01
      2  -0.124056D+01 -0.425766D+00  0.138670D+01 -0.819710D-01 -0.162925D+01
      3  -0.170839D+01 -0.158825D+01 -0.441833D+00 -0.278043D+01 -0.254987D+02
               231           232           233           234 
      1  -0.478348D+01 -0.500643D+00 -0.209734D+00  0.301859D+00
      2   0.365519D+01  0.111384D+01  0.180783D+01  0.301040D+00
      3   0.971686D+00 -0.875650D+00  0.190198D+01 -0.174319D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.160392D+02  0.391495D+01 -0.295632D+01  0.704499D+01 -0.290235D+02
      2   0.114022D+02 -0.147819D+01  0.264852D+01  0.121001D+01  0.343888D+02
      3   0.463704D+01 -0.243676D+01  0.307798D+00 -0.825500D+01 -0.536529D+01
      4  -0.779818D+01  0.223851D+01 -0.122188D+02 -0.432517D+01  0.529949D+02
      5  -0.183897D+02 -0.794683D+01 -0.515920D+01 -0.129707D+02  0.448045D+01
      6  -0.563340D+01 -0.870033D+01 -0.601670D+01 -0.540823D+01  0.683126D+01
                 6             7             8             9            10 
      1  -0.139123D+02 -0.454450D+01 -0.153411D+02 -0.192882D+02  0.275244D+01
      2   0.103351D+02  0.287242D+01  0.240331D+01  0.282667D+01  0.149339D+01
      3   0.357724D+01  0.167208D+01  0.129378D+02  0.164616D+02 -0.424584D+01
      4   0.427728D+01 -0.212246D+02  0.309342D+01  0.112240D+02 -0.216108D+01
      5   0.575691D+01 -0.530804D+01  0.701534D+01  0.976267D+01  0.260152D+01
      6   0.764753D+01 -0.381875D+01  0.118483D+02  0.587140D+01  0.988301D+00
                11            12            13            14            15 
      1  -0.523686D+01 -0.107151D+02  0.186399D+01  0.440436D+02  0.347196D+01
      2  -0.403111D+01  0.107345D+02 -0.643518D+01 -0.649484D+02  0.665113D+01
      3   0.926797D+01 -0.193765D-01  0.457119D+01  0.209048D+02 -0.101231D+02
      4   0.228588D+01  0.380655D+01  0.963741D+01 -0.196454D+02  0.454248D+01
      5   0.921327D+00 -0.259683D+01  0.367996D+01  0.400594D-01  0.277311D+01
      6   0.166224D+02  0.137170D+02  0.711528D+01  0.525444D+01 -0.624753D+01
                16            17            18            19            20 
      1  -0.111661D+02 -0.115127D+01  0.219225D+02  0.173424D+02 -0.685202D-01
      2   0.588489D+01  0.243758D+02 -0.813283D+01 -0.144713D+02 -0.255380D+01
      3   0.528119D+01 -0.232246D+02 -0.137897D+02 -0.287105D+01  0.262232D+01
      4   0.399557D+01  0.777955D+01  0.458989D+01 -0.377586D+01  0.589988D+01
      5  -0.338691D-02  0.629558D+01  0.709424D+01  0.258020D+01  0.842496D+01
      6   0.136196D+02 -0.219873D+02 -0.282273D+02 -0.260306D+01 -0.582954D+01
                21            22            23            24            25 
      1   0.506776D+01  0.237852D+01  0.114774D+02  0.124136D+02 -0.247326D+01
      2  -0.394121D+01 -0.288829D+01 -0.741360D+01 -0.284752D+01 -0.143385D+01
      3  -0.112655D+01  0.509770D+00 -0.406384D+01 -0.956604D+01  0.390711D+01
      4   0.595722D+01  0.125030D+01 -0.549161D+02 -0.158975D+02 -0.974798D+00
      5   0.599949D+01  0.627557D+01 -0.108262D+02 -0.116012D+02  0.149397D+02
      6  -0.998128D+00 -0.143103D+01 -0.766275D+01 -0.115215D+01 -0.107594D+01
                26            27            28            29            30 
      1   0.106160D+02  0.118727D+02 -0.362794D+02 -0.158572D+01 -0.159847D+02
      2  -0.103200D+02 -0.131182D+02  0.278481D+02 -0.679468D+01  0.998504D+01
      3  -0.295976D+00  0.124549D+01  0.843123D+01  0.838040D+01  0.599969D+01
      4  -0.178428D+02 -0.132384D+02 -0.220002D+01  0.187565D+01 -0.110021D+02
      5  -0.104160D+02 -0.137702D+02 -0.114701D+02 -0.150676D+02 -0.175187D+02
      6   0.443910D+01 -0.526993D+01  0.155611D+01  0.867750D+01  0.773945D+01
                31            32            33            34            35 
      1  -0.161102D+02  0.127315D+02 -0.174461D+02 -0.186080D+02 -0.218441D+02
      2   0.721391D+01 -0.271177D+02  0.171263D+02  0.631082D+01  0.269149D+02
      3   0.889628D+01  0.143862D+02  0.319851D+00  0.122971D+02 -0.507084D+01
      4  -0.477352D+01  0.409678D+02  0.229466D+01 -0.135591D+02  0.118436D+01
      5  -0.146854D+02 -0.426437D+01  0.109313D+02 -0.293041D+02  0.266647D+02
      6   0.228390D+01  0.128243D+02 -0.891887D+01  0.142033D+02 -0.191714D+02
                36            37            38            39            40 
      1  -0.147460D+02 -0.146293D+02 -0.417624D+01  0.151848D+01 -0.141038D+02
      2   0.109114D+02  0.108274D+02  0.345894D+01 -0.272492D+01  0.770247D+00
      3   0.383461D+01  0.380191D+01  0.717298D+00  0.120644D+01  0.133336D+02
      4   0.234757D+02  0.551267D+01  0.132156D+01  0.453683D+01  0.231156D+01
      5   0.319782D+02  0.445698D+01 -0.472962D+00 -0.133952D+01 -0.107182D+01
      6  -0.181726D+02  0.711891D+01 -0.411033D+00  0.403823D+01  0.354713D-01
                41            42            43            44            45 
      1   0.218612D+02  0.343114D+01  0.110984D+02  0.121357D+02  0.670439D+00
      2  -0.126203D+02 -0.103833D+02 -0.329882D+01 -0.141520D+02  0.501591D+01
      3  -0.924087D+01  0.695212D+01 -0.779963D+01  0.201628D+01 -0.568635D+01
      4  -0.869691D+01 -0.135608D+01  0.961564D+01 -0.856239D-01  0.126842D+01
      5   0.134760D+01  0.555063D+01 -0.638619D+01  0.906512D+00 -0.116196D+01
      6  -0.135156D+02 -0.189104D+02 -0.677533D+00 -0.106561D+02  0.342577D+01
                46            47            48            49            50 
      1   0.603936D+00 -0.942329D+01 -0.151506D+02 -0.109715D+02 -0.548273D+01
      2  -0.788667D+01  0.245476D+01  0.118143D+02  0.910388D+01  0.482898D+01
      3   0.728273D+01  0.696854D+01  0.333637D+01  0.186762D+01  0.653749D+00
      4  -0.161384D+02  0.342098D+01 -0.969535D+01  0.522365D+01  0.194313D+02
      5  -0.188789D+02 -0.504582D+01  0.810347D+01  0.125891D+01 -0.645290D+01
      6  -0.105729D+02  0.163059D+00  0.134944D+01 -0.125830D+01 -0.442318D+01
                51            52            53            54            55 
      1  -0.587627D+01 -0.214282D+02 -0.858988D+01  0.109731D+02 -0.966437D+01
      2  -0.284630D+01  0.116807D+02  0.374198D+01 -0.514453D+01 -0.545563D+01
      3   0.872257D+01  0.974749D+01  0.484789D+01 -0.582857D+01  0.151200D+02
      4  -0.852378D+01 -0.855714D+01 -0.943885D+01  0.212157D+01  0.233800D+02
      5  -0.514234D+01  0.112205D+02 -0.100097D+01  0.470244D+01  0.377595D+00
      6   0.856899D+01  0.572944D+01 -0.851781D+00  0.342833D+01  0.204406D+01
                56            57            58            59            60 
      1   0.918111D+01  0.346904D+01  0.296831D+01 -0.130684D+02  0.289265D+01
      2   0.478355D+01 -0.109315D+02  0.456571D+01  0.897783D+01 -0.119838D+00
      3  -0.139647D+02  0.746243D+01 -0.753402D+01  0.409054D+01 -0.277281D+01
      4  -0.246594D+02  0.208053D+01 -0.231446D+02  0.635285D+01  0.331380D+01
      5   0.239992D+01  0.126239D+01 -0.229851D+01  0.249145D+01  0.368072D+00
      6  -0.101601D+02 -0.690515D+01 -0.620804D+01  0.361935D+01 -0.611304D+00
                61            62            63            64            65 
      1   0.813617D+00  0.614409D+01  0.155572D+01  0.795428D+01  0.829321D+01
      2  -0.528533D+01 -0.756876D+01  0.866319D+01  0.741641D+01  0.171354D+01
      3   0.447171D+01  0.142466D+01 -0.102189D+02 -0.153707D+02 -0.100067D+02
      4   0.519406D+01  0.563648D+01 -0.767021D+01 -0.455691D+01 -0.350219D+00
      5   0.307089D+01 -0.191997D+01 -0.155735D+01 -0.394476D+01  0.379789D+01
      6  -0.527785D+01  0.609851D+01  0.774991D+01  0.743725D+01  0.152141D+02
                66            67            68            69            70 
      1  -0.318189D+01  0.139960D+02 -0.263477D+01 -0.154914D+01  0.161342D+01
      2   0.156259D+02  0.416401D+01 -0.293372D+01 -0.211115D+01  0.114064D+02
      3  -0.124440D+02 -0.181601D+02  0.556849D+01  0.366028D+01 -0.130199D+02
      4   0.312534D+01  0.248059D+01 -0.261133D+01  0.906771D+01 -0.287122D+01
      5  -0.192862D+02  0.140369D+01  0.586891D+01 -0.144592D+02 -0.141315D+02
      6  -0.108475D+02  0.136159D+02 -0.550598D+01  0.561483D+01 -0.501742D+01
                71            72            73            74            75 
      1  -0.707340D+01 -0.443121D+01  0.357302D+02  0.100763D+02  0.111809D+02
      2   0.481127D+01 -0.114645D+01 -0.200315D+02 -0.470028D+01 -0.945378D+01
      3   0.226213D+01  0.557766D+01 -0.156987D+02 -0.537599D+01 -0.172707D+01
      4   0.568301D+01 -0.233914D+00  0.280764D+02  0.150082D+02  0.124196D+02
      5  -0.626889D+01 -0.547680D+01  0.246180D+02  0.968496D+01  0.171116D+02
      6  -0.613671D-01  0.145635D+01  0.844319D+01  0.524658D+01  0.590681D+01
                76            77            78            79            80 
      1   0.450069D+01  0.610958D+00 -0.427851D+00  0.122308D+02  0.360831D+01
      2  -0.616377D+00  0.250843D+01  0.427865D+00 -0.856491D+01  0.291105D+00
      3  -0.388431D+01 -0.311939D+01 -0.138538D-04 -0.366589D+01 -0.389941D+01
      4   0.137757D+02  0.125988D+02  0.920355D+01  0.144073D+02  0.130969D+02
      5   0.656249D+01  0.822357D+01  0.679826D+01  0.158375D+02  0.560957D+01
      6   0.537860D+01  0.674388D+01  0.578832D+01  0.624049D+01  0.521917D+01
                81            82            83            84            85 
      1   0.584753D+01 -0.150639D+01 -0.513887D+01  0.392940D+00 -0.227737D+01
      2  -0.567871D+01  0.726996D+01  0.129484D+02 -0.649225D+00  0.761771D+01
      3  -0.168824D+00 -0.576357D+01 -0.780951D+01  0.256285D+00 -0.534035D+01
      4   0.836041D+01  0.598872D+01  0.148531D+02 -0.141944D+01  0.773824D+01
      5   0.109680D+02 -0.336678D+00  0.558297D+00  0.232783D+01 -0.849004D-01
      6   0.530376D+01 -0.151859D+01 -0.130561D+01 -0.231719D+00 -0.455318D+00
                86            87            88            89            90 
      1  -0.485491D+02  0.233418D+01  0.158197D+01  0.127449D+02 -0.794923D+01
      2   0.869602D+02 -0.641806D+01 -0.217402D+01 -0.251766D+02  0.881745D+01
      3  -0.384111D+02  0.408389D+01  0.592046D+00  0.124317D+02 -0.868222D+00
      4   0.212475D+02 -0.211342D+01 -0.290454D+01 -0.619902D+01  0.220318D+01
      5   0.301847D+00  0.552806D+00  0.165027D+01  0.847763D+00 -0.162957D+01
      6  -0.571927D+01  0.805376D+01 -0.615307D+00  0.152194D+02 -0.200537D+01
                91            92            93            94            95 
      1  -0.239594D+01  0.368515D+01  0.556788D+01  0.182858D+01 -0.153312D+02
      2  -0.144925D+01 -0.185082D+01 -0.247613D+01 -0.174484D+01  0.163864D+02
      3   0.384519D+01 -0.183433D+01 -0.309175D+01 -0.837410D-01 -0.105519D+01
      4  -0.336107D+01  0.544365D+01  0.509777D+01  0.116338D+01  0.911204D+00
      5  -0.323176D+01  0.365763D+01  0.715033D+01  0.756889D+00 -0.980652D+00
      6   0.635008D+01 -0.718273D+01 -0.870905D+01 -0.363939D+01  0.119079D+02
                96            97            98            99           100 
      1  -0.889823D+01  0.774248D+01 -0.185983D+02 -0.284437D+02  0.709719D+02
      2   0.651226D+01 -0.152027D+01  0.712620D+01  0.216906D+01 -0.392474D+02
      3   0.238597D+01 -0.622221D+01  0.114721D+02  0.262746D+02 -0.317245D+02
      4  -0.135162D+01  0.350171D+01 -0.186351D+01 -0.223669D+01 -0.108128D+02
      5  -0.120999D+01  0.563428D+01 -0.331128D+01 -0.460018D+01  0.172388D+02
      6   0.137557D+02 -0.852914D+01  0.279372D+02  0.403464D+02 -0.548391D+01
               101           102           103           104           105 
      1   0.196897D+01  0.160907D+02  0.211892D+02  0.438423D+01  0.498453D+01
      2  -0.296666D+01 -0.977288D+01 -0.125236D+02 -0.148062D+01 -0.431584D+01
      3   0.997692D+00 -0.631784D+01 -0.866559D+01 -0.290361D+01 -0.668684D+00
      4   0.823456D+01 -0.222160D+01  0.542461D+01  0.306353D+01  0.277747D+01
      5   0.206635D+00  0.143790D+02  0.505485D+01  0.332936D+01  0.378243D+01
      6  -0.147844D+00 -0.481991D+01 -0.433009D+00 -0.982466D+00  0.853501D+00
               106           107           108           109           110 
      1   0.262333D+02  0.684135D+00  0.123843D+02  0.156564D+02 -0.575988D+01
      2  -0.164121D+02 -0.285195D+01 -0.101329D+02 -0.109101D+02  0.378024D+01
      3  -0.982119D+01  0.216782D+01 -0.225136D+01 -0.474626D+01  0.197964D+01
      4  -0.536533D+01  0.511020D+01 -0.301851D+01 -0.980236D+01  0.643461D+01
      5   0.186607D+02 -0.112611D+01  0.102581D+02 -0.130963D+02  0.817292D+01
      6  -0.446073D+01  0.239969D+01 -0.200522D+01  0.544442D+01 -0.374529D+01
               111           112           113           114           115 
      1  -0.837156D+01 -0.215978D+01 -0.300226D+00  0.160349D+01 -0.161201D+02
      2   0.588708D+01 -0.444710D+00  0.497542D+01  0.182487D+00  0.130298D+02
      3   0.248447D+01  0.260449D+01 -0.467520D+01 -0.178598D+01  0.309038D+01
      4   0.882384D+01  0.117800D+02 -0.179531D+02 -0.103523D+02  0.210575D+02
      5   0.158378D+02  0.688806D+01 -0.938070D+01 -0.102366D+02  0.283236D+02
      6  -0.582762D+01 -0.466646D+01  0.583508D+01  0.104948D+02 -0.129338D+02
               116           117           118           119           120 
      1   0.717081D+01  0.500940D+01 -0.588789D+00 -0.939497D+01  0.407000D+01
      2  -0.614005D+01 -0.144363D+02  0.129537D+01  0.114543D+02 -0.253657D+01
      3  -0.103076D+01  0.942687D+01 -0.706580D+00 -0.205933D+01 -0.153343D+01
      4  -0.205580D+02 -0.220118D+02 -0.544160D+00 -0.212104D+01  0.982807D-01
      5  -0.240385D+02 -0.467693D+02  0.198013D+01  0.171166D+01  0.158651D+01
      6   0.175398D+02  0.256423D+02 -0.166305D+01 -0.324648D+01  0.106283D+01
               121           122           123           124           125 
      1  -0.769937D+01 -0.214758D+02  0.752746D+01  0.496521D+01  0.102301D+02
      2  -0.856751D-01  0.459316D+02 -0.100556D+02 -0.595315D+00 -0.161147D+02
      3   0.778504D+01 -0.244558D+02  0.252811D+01 -0.436989D+01  0.588459D+01
      4   0.153158D+02 -0.465231D+02  0.751744D+01 -0.367598D+01  0.141052D+02
      5   0.996660D-01  0.108947D+02 -0.862560D+01  0.682524D+01 -0.132947D+02
      6   0.268338D+01 -0.167545D+02  0.983333D+01 -0.388473D+01  0.156316D+02
               126           127           128           129           130 
      1  -0.354158D+01  0.461762D+00 -0.112411D+01 -0.283861D+00  0.535771D+00
      2   0.428102D+01  0.201984D+01  0.728459D+00  0.523726D+00 -0.147741D+01
      3  -0.739443D+00 -0.248161D+01  0.395652D+00 -0.239865D+00  0.941642D+00
      4  -0.104309D+02 -0.672485D+00  0.822724D+01  0.223648D+01  0.681415D+01
      5   0.197992D+01 -0.979725D+00  0.351231D+01  0.385757D+01  0.327131D+01
      6  -0.543437D+01  0.381779D+01 -0.187614D-01  0.105247D+01 -0.319918D+01
               131           132           133           134           135 
      1  -0.226110D+02 -0.107479D+02  0.390636D+00 -0.917132D+01 -0.103202D+02
      2   0.269792D+02  0.853174D+01  0.551704D+00  0.637913D+01  0.195144D+01
      3  -0.436819D+01  0.221621D+01 -0.942340D+00  0.279219D+01  0.836874D+01
      4  -0.131971D+01 -0.130411D+01  0.181291D+01 -0.130426D+01  0.412993D+00
      5  -0.206289D+01 -0.105274D+01  0.298881D+01 -0.766322D+00 -0.222052D+01
      6   0.258262D+02  0.167370D+02 -0.991477D+00  0.155003D+02  0.116740D+02
               136           137           138           139           140 
      1   0.622503D+01  0.615110D+01  0.120951D+02  0.938405D+01  0.136226D+02
      2   0.156050D+02 -0.497087D+01 -0.113535D+02 -0.104797D+02 -0.185596D+02
      3  -0.218301D+02 -0.118023D+01 -0.741605D+00  0.109563D+01  0.493695D+01
      4   0.942539D+01  0.272421D+01  0.283923D+01  0.447416D+00 -0.156907D+02
      5   0.140571D+02 -0.732185D+01 -0.208128D+02 -0.112106D+02  0.641240D+01
      6  -0.487654D+01  0.241139D+01  0.407425D+01  0.540554D+01  0.276556D+02
               141           142           143           144           145 
      1  -0.172122D+01  0.952400D+01  0.182212D+01 -0.151328D+02 -0.177838D+02
      2   0.167454D+02 -0.884145D+01  0.972801D+01  0.170793D+01  0.144692D+02
      3  -0.150241D+02 -0.682547D+00 -0.115501D+02  0.134249D+02  0.331458D+01
      4   0.748426D+01  0.406823D+01  0.458669D+01  0.153122D+01  0.215679D+02
      5   0.924270D+01 -0.211514D+02  0.462146D+01  0.349780D+01  0.255468D+02
      6  -0.953962D+01  0.111951D+01 -0.339923D+01 -0.121824D+02  0.755324D+01
               146           147           148           149           150 
      1   0.179480D+02  0.242215D+02  0.291079D+02  0.116748D+02 -0.212792D+01
      2  -0.109304D+02 -0.108523D+02 -0.214166D+02 -0.272924D+02  0.347255D+01
      3  -0.701756D+01 -0.133692D+02 -0.769128D+01  0.156176D+02 -0.134463D+01
      4   0.191505D+01  0.447413D+01 -0.486917D+01 -0.341882D+02  0.665469D+01
      5   0.189794D+01 -0.963965D+01 -0.104611D+01  0.568655D+01  0.946100D+01
      6   0.888394D+00 -0.189560D+01  0.489192D+00 -0.103537D+01  0.250841D+01
               151           152           153           154           155 
      1   0.299625D+02 -0.127433D+01 -0.133357D+02  0.223891D+02 -0.919688D+01
      2  -0.126809D+02  0.262701D+01  0.142511D+02  0.276585D+00 -0.781032D+01
      3  -0.172816D+02 -0.135268D+01 -0.915395D+00 -0.226657D+02  0.170072D+02
      4   0.336436D+01  0.699171D+01  0.533738D+01 -0.347699D+02  0.296880D+02
      5  -0.148751D+02  0.725728D+01 -0.240684D+02  0.288366D+01 -0.271877D+01
      6  -0.392497D+01  0.364138D+01 -0.822567D+01 -0.351960D+01  0.361401D+01
               156           157           158           159           160 
      1  -0.598622D+00 -0.362752D+01 -0.306264D+00  0.986085D-01 -0.634090D+00
      2   0.106376D+01 -0.981843D+01  0.174005D+02  0.786295D+00  0.621252D+00
      3  -0.465141D+00  0.134459D+02 -0.170942D+02 -0.884904D+00  0.128379D-01
      4  -0.108775D+01  0.242361D+02 -0.261457D+02  0.261953D+00 -0.326764D+00
      5   0.553561D+01 -0.190474D+01  0.143633D+01 -0.198087D+01  0.614668D+01
      6  -0.295045D+01  0.275216D+01 -0.334456D+01  0.501736D+01 -0.407463D+01
               161           162           163           164           165 
      1   0.154546D+00  0.162849D+00  0.232612D+01  0.132062D+01 -0.485931D+01
      2   0.139885D+01  0.557034D+00 -0.138210D+02 -0.187456D+01 -0.152883D+02
      3  -0.155340D+01 -0.719884D+00  0.114949D+02  0.553944D+00  0.201476D+02
      4  -0.447326D+00 -0.507496D+01 -0.141318D+01  0.374317D+01 -0.247816D+01
      5  -0.421678D+01  0.351080D+00  0.191374D+02  0.513565D+00  0.203449D+02
      6   0.648203D+01 -0.251863D+01 -0.386604D+01  0.254864D+01 -0.461841D+01
               166           167           168           169           170 
      1  -0.158117D+01 -0.686909D+00 -0.176755D+01 -0.337273D+01  0.811058D+00
      2  -0.229735D+01 -0.241386D+01 -0.314143D+01 -0.125147D+02 -0.134730D+01
      3   0.387852D+01  0.310076D+01  0.490898D+01  0.158874D+02  0.536244D+00
      4   0.292666D+01  0.332958D+00  0.164399D+01 -0.154185D+01  0.186011D+01
      5   0.160351D+01  0.341170D+01  0.304200D+01  0.174425D+02  0.159492D+01
      6   0.227885D+01  0.111866D+01  0.544780D+01 -0.217496D+01  0.499812D+01
               171           172           173           174           175 
      1  -0.138611D+02 -0.301171D+01 -0.625532D+01  0.895917D+01 -0.491190D+01
      2  -0.214320D+02 -0.344961D+01  0.102533D+01  0.349799D+01  0.518345D+00
      3   0.352931D+02  0.646132D+01  0.522999D+01 -0.124572D+02  0.439355D+01
      4  -0.193259D+01  0.627765D+01  0.560388D+01 -0.598124D+01  0.485873D+01
      5   0.224220D+02 -0.134454D+02 -0.690172D+01  0.143975D+02 -0.620727D+01
      6  -0.639240D+01 -0.972577D+01 -0.118045D+02  0.133284D+02 -0.894131D+01
               176           177           178           179           180 
      1  -0.923960D+01  0.965518D+01  0.432036D+01  0.719092D+01 -0.126377D+02
      2   0.693769D+01 -0.225147D+00  0.193113D+01  0.392196D+00 -0.687889D+01
      3   0.230192D+01 -0.943004D+01 -0.625150D+01 -0.758311D+01  0.195165D+02
      4   0.419807D+01 -0.410524D+01 -0.246992D+01 -0.301610D+01  0.320509D+01
      5  -0.601056D+01  0.685187D+01  0.974143D+01  0.473412D+01 -0.906925D+01
      6  -0.131978D+02  0.140699D+02  0.680428D+01  0.101927D+02 -0.151960D+02
               181           182           183           184           185 
      1  -0.452809D+01 -0.161025D+00 -0.116714D+02 -0.227077D+01 -0.322090D+01
      2  -0.489782D+01 -0.697032D+00 -0.547975D+01  0.866180D+00  0.186399D+01
      3   0.942592D+01  0.858057D+00  0.171511D+02  0.140459D+01  0.135691D+01
      4  -0.789624D+01 -0.834006D+00 -0.278891D+01 -0.725683D+00  0.227494D+00
      5   0.119427D+02  0.233881D+01  0.633972D+01  0.407504D+01  0.796601D+00
      6   0.194544D+01  0.448762D+01 -0.314765D+01  0.238901D+01 -0.332303D+00
               186           187           188           189           190 
      1  -0.340330D+01 -0.670649D+01 -0.160996D+01 -0.771795D+01 -0.102662D+01
      2  -0.381398D+01 -0.370165D+01 -0.192474D+01 -0.685876D+01  0.851915D+00
      3   0.721727D+01  0.104081D+02  0.353470D+01  0.145767D+02  0.174700D+00
      4  -0.881321D+00 -0.276965D+01  0.174642D+00 -0.254462D+01  0.244036D+01
      5  -0.114347D+01  0.932536D+01  0.656013D+00  0.554925D+01 -0.324969D+01
      6   0.291422D+01 -0.342727D-01  0.341639D+01  0.107152D+01 -0.329392D+01
               191           192           193           194           195 
      1   0.150769D+01 -0.128170D+01  0.113945D+00 -0.218244D+02  0.120429D+02
      2  -0.113927D+00  0.171307D+01  0.214433D+01  0.306599D+02 -0.681732D+01
      3  -0.139376D+01 -0.431375D+00 -0.225827D+01 -0.883550D+01 -0.522561D+01
      4   0.695112D+01 -0.259264D+01  0.870744D+01  0.186264D+02 -0.704901D+01
      5  -0.333446D+01  0.541777D+01 -0.484822D+01 -0.655732D+01  0.556481D+01
      6  -0.200491D+01  0.774736D+00 -0.462950D+01 -0.363917D+02  0.201868D+02
               196           197           198           199           200 
      1  -0.428843D+00  0.516026D+01 -0.493213D+01  0.146097D+02 -0.293918D+01
      2   0.144370D+01 -0.828193D+00  0.101968D+01 -0.206939D+02  0.367001D+01
      3  -0.101486D+01 -0.433207D+01  0.391245D+01  0.608427D+01 -0.730829D+00
      4  -0.844513D+00 -0.215554D+01  0.271736D+01 -0.101020D+01  0.490142D+01
      5   0.387691D+01  0.214231D+01 -0.315251D+01 -0.293140D+02  0.464667D+01
      6   0.103076D+01  0.110930D+02 -0.725883D+01  0.328504D+01 -0.597079D+01
               201           202           203           204           205 
      1  -0.402680D+01 -0.471029D+01 -0.214709D+00 -0.593097D-01 -0.239604D+01
      2   0.175889D+02  0.709500D+01 -0.119567D+01 -0.853940D+01  0.125732D+02
      3  -0.135621D+02 -0.238471D+01  0.141038D+01  0.859871D+01 -0.101771D+02
      4   0.305013D-01  0.450817D+01 -0.239902D+01 -0.457577D+01 -0.697568D+00
      5   0.272396D+02  0.110626D+02 -0.683925D+01 -0.109809D+02  0.201008D+02
      6  -0.984184D+00 -0.558584D+01  0.200064D+01  0.685037D+01 -0.184122D+01
               206           207           208           209           210 
      1   0.909065D-01 -0.242857D+01  0.789616D+01 -0.241118D+01  0.518683D+01
      2  -0.408335D+01 -0.170491D+02 -0.754717D+01  0.154139D+01 -0.592785D+01
      3   0.399245D+01  0.194776D+02 -0.348993D+00  0.869795D+00  0.741019D+00
      4  -0.268584D+01 -0.115099D+01 -0.110610D+01  0.133126D+01  0.822676D+00
      5  -0.415508D+01 -0.227346D+02  0.752929D+01 -0.721612D+00  0.134672D+02
      6   0.553977D+01  0.213909D+01  0.859304D+00  0.287323D+00  0.208478D+01
               211           212           213           214           215 
      1  -0.679091D+01 -0.115021D+01 -0.101685D+01  0.111108D+02  0.783557D+00
      2   0.441587D+01  0.140537D+01  0.188186D+01 -0.946750D+01  0.173321D+01
      3   0.237504D+01 -0.255165D+00 -0.865005D+00 -0.164330D+01 -0.251676D+01
      4   0.240784D+01  0.137826D+01  0.400861D+01  0.432682D+01  0.672724D+01
      5  -0.195869D+01  0.348053D+01 -0.442506D+01  0.192704D+02 -0.878676D+00
      6   0.791303D+00  0.386511D-02  0.291137D+01  0.488353D+01  0.385648D+01
               216           217           218           219           220 
      1   0.388493D+01  0.648311D+02 -0.708213D+01 -0.159296D+02 -0.232005D+02
      2  -0.169283D+02 -0.350979D+02  0.512929D+01  0.888462D+01  0.133700D+02
      3   0.130433D+02 -0.297332D+02  0.195284D+01  0.704495D+01  0.983055D+01
      4   0.282781D+00 -0.403997D+00  0.856922D+01  0.553387D+00  0.103457D+02
      5   0.380108D+02 -0.161798D+02  0.164219D+01  0.131107D+02  0.504583D+01
      6   0.111867D+02 -0.355929D+01  0.352187D+00  0.306422D+01 -0.550863D-01
               221           222           223           224           225 
      1   0.592147D+01  0.422538D+01 -0.294730D+02  0.152050D+01  0.121153D+02
      2  -0.659641D+00 -0.297425D+01  0.166936D+02 -0.206218D+01 -0.977041D+01
      3  -0.526183D+01 -0.125113D+01  0.127794D+02  0.541677D+00 -0.234487D+01
      4  -0.243640D+01 -0.390247D+01 -0.102321D+01 -0.623301D+01 -0.159062D+01
      5  -0.368573D+01 -0.600411D+01  0.174052D+02 -0.233035D+01 -0.107713D+02
      6   0.440815D+00  0.583875D+00  0.264621D+01  0.677884D+00 -0.101554D+01
               226           227           228           229           230 
      1   0.534036D+01  0.507507D+01 -0.218853D+01  0.591913D+01 -0.125749D+02
      2   0.365291D+00 -0.149948D+01  0.111034D+01  0.634094D+01  0.391651D+02
      3  -0.570565D+01 -0.357560D+01  0.107819D+01 -0.122601D+02 -0.265901D+02
      4   0.512969D+01  0.934373D+01 -0.587187D+00  0.222125D+02  0.495706D+02
      5  -0.196833D+01  0.273106D+00  0.203117D+01  0.124851D+01 -0.114151D+01
      6  -0.527135D+00  0.147031D-01 -0.240461D+00  0.115732D+01  0.363281D+01
               231           232           233           234 
      1   0.105354D+01 -0.454636D+01  0.566238D+00 -0.397496D+00
      2  -0.160496D+01  0.118110D+01 -0.257258D+01  0.177046D+01
      3   0.551421D+00  0.336526D+01  0.200635D+01 -0.137296D+01
      4  -0.117015D+01 -0.253802D+01 -0.419959D+01  0.440425D+01
      5   0.618629D+01  0.442696D+01  0.475398D+01  0.872525D+00
      6   0.668925D+01  0.243162D+01  0.644673D+01 -0.562102D+00
 Leave Link  716 at Thu Jul 22 19:36:05 2021, MaxMem=  5637144576 cpu:               0.3 elap:               0.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) frequency  1    0.093368:
                 1             2             3 
      1   0.125728D+03 -0.624060D+00  0.465163D+00
      2  -0.624060D+00  0.122050D+03  0.482918D+01
      3   0.465163D+00  0.482918D+01  0.109147D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.093368:
                 1             2             3 
      1  -0.260116D+00  0.290997D+01  0.525882D+01
      2   0.456348D+01  0.162939D+02 -0.357952D+01
      3   0.854066D+01 -0.245482D+02 -0.154815D+02
 Property number 4 -- D-Q polarizability frequency  1    0.093368:
                 1             2             3 
      1   0.129516D+02 -0.407826D+02  0.923391D+00
      2   0.528330D+01  0.208519D+02  0.812041D+01
      3  -0.182349D+02  0.199307D+02 -0.904380D+01
      4  -0.409997D+02  0.368984D+02  0.275786D+02
      5   0.139328D+02  0.248701D+02 -0.203545D+02
      6   0.103345D+02  0.187098D+02  0.796539D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=    78 ND12= 1 LenFil=    2811:
 Frequencies=    0.093368
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.363454D+01  0.222612D+00 -0.178165D+01  0.255954D+01 -0.920267D+00
      2   0.222612D+00 -0.801349D+00 -0.263973D+01 -0.920267D+00  0.167264D+02
      3  -0.178165D+01 -0.263973D+01 -0.215539D+01 -0.221870D+01  0.333085D+01
                 6             7             8             9            10 
      1  -0.221870D+01 -0.123990D+01 -0.327142D+01 -0.184410D+01  0.820898D+00
      2   0.333085D+01 -0.327142D+01  0.250394D+01  0.371710D+01  0.556777D+00
      3   0.327791D+01 -0.184410D+01  0.371710D+01  0.558517D+01  0.376273D+00
                11            12            13            14            15 
      1   0.556777D+00  0.376273D+00  0.155070D+01  0.376036D+00  0.221391D+01
      2   0.106744D+01  0.344771D+01  0.376036D+00 -0.121124D+02  0.336260D+00
      3   0.344771D+01  0.288911D+01  0.221391D+01  0.336260D+00 -0.131510D+01
                16            17            18            19            20 
      1   0.120380D+01  0.326611D+01  0.293824D+01  0.240351D+01 -0.269661D+01
      2   0.326611D+01  0.232696D+01 -0.404899D+01 -0.269661D+01  0.140985D+01
      3   0.293824D+01 -0.404899D+01 -0.590954D+01 -0.540031D+00  0.116308D+01
                21            22            23            24            25 
      1  -0.540031D+00 -0.298696D+01  0.157578D+01  0.148557D+01 -0.127381D+01
      2   0.116308D+01  0.157578D+01 -0.167225D+02 -0.445891D+01  0.670859D+00
      3   0.772000D+00  0.148557D+01 -0.445891D+01 -0.443129D+01  0.159104D+01
                26            27            28            29            30 
      1   0.670859D+00  0.159104D+01 -0.517275D+01 -0.373674D+00 -0.118281D+01
      2  -0.474354D+01 -0.394740D+01 -0.373674D+00 -0.607248D+00 -0.283626D+01
      3  -0.394740D+01 -0.457137D+01 -0.118281D+01 -0.283626D+01 -0.266207D+01
                31            32            33            34            35 
      1  -0.232236D+01 -0.293215D+01 -0.283109D+01 -0.141361D+01 -0.294228D+01
      2  -0.293215D+01  0.105213D+02 -0.196875D+00 -0.294228D+01 -0.649308D+00
      3  -0.283109D+01 -0.196875D+00  0.174858D+01 -0.460582D+01  0.414759D+01
                36            37            38            39            40 
      1  -0.460582D+01  0.512576D+01  0.186398D+01 -0.284549D+01 -0.242337D+01
      2   0.414759D+01  0.186398D+01  0.106872D+01 -0.105710D+01 -0.122396D+00
      3   0.489365D+01 -0.284549D+01 -0.105710D+01  0.400352D+01 -0.204097D+01
                41            42            43            44            45 
      1  -0.122396D+00 -0.204097D+01 -0.662956D+01 -0.117576D+01  0.257694D+01
      2   0.439320D+01  0.426758D+01 -0.117576D+01  0.353864D+01  0.334239D+00
      3   0.426758D+01 -0.193365D+01  0.257694D+01  0.334239D+00  0.451357D+00
                46            47            48            49            50 
      1  -0.422863D+01  0.160261D+01  0.539442D+01  0.380908D+01 -0.172796D+01
      2   0.160261D+01 -0.167860D+01  0.694477D+00 -0.172796D+01 -0.852418D+01
      3   0.539442D+01  0.694477D+00 -0.198222D+01  0.129351D+01  0.166191D+01
                51            52            53            54            55 
      1   0.129351D+01  0.865662D+01  0.108469D+01 -0.154686D+01  0.304882D+01
      2   0.166191D+01  0.108469D+01  0.287356D+01  0.177605D+01 -0.429166D+01
      3   0.118631D+01 -0.154686D+01  0.177605D+01 -0.298512D+01 -0.154485D+01
                56            57            58            59            60 
      1  -0.429166D+01 -0.154485D+01 -0.373704D+01  0.512969D+01 -0.190443D+01
      2   0.473197D+01 -0.149319D+01  0.512969D+01  0.381011D+01 -0.276162D+01
      3  -0.149319D+01 -0.167941D+01 -0.190443D+01 -0.276162D+01  0.346742D+01
                61            62            63            64            65 
      1  -0.182931D+01 -0.190452D+01 -0.172928D+01  0.418623D+00 -0.108325D+01
      2  -0.190452D+01 -0.356200D+01  0.160302D+01 -0.108325D+01 -0.249056D+01
      3  -0.172928D+01  0.160302D+01  0.354519D+01  0.385182D+01  0.410781D+01
                66            67            68            69            70 
      1   0.385182D+01  0.756415D+00 -0.202480D+01  0.482989D+01  0.310438D+01
      2   0.410781D+01 -0.202480D+01  0.132320D+01 -0.101249D+01  0.307528D+01
      3   0.782000D+00  0.482989D+01 -0.101249D+01 -0.890543D+00  0.114536D+01
                71            72            73            74            75 
      1   0.307528D+01  0.114536D+01  0.811437D+01  0.269907D+01  0.347859D+01
      2  -0.859675D+00 -0.157007D+01  0.269907D+01  0.126653D+01  0.139088D+01
      3  -0.157007D+01 -0.462631D+00  0.347859D+01  0.139088D+01  0.230481D+01
                76            77            78            79            80 
      1   0.203222D+01  0.141795D+01  0.990507D+00  0.345749D+01  0.172416D+01
      2   0.141795D+01  0.210743D+01  0.154204D+01  0.172416D+01  0.202758D+01
      3   0.990507D+00  0.154204D+01  0.133090D+01  0.235523D+01  0.898169D+00
                81            82            83            84            85 
      1   0.235523D+01  0.927051D+00  0.142833D+01 -0.372959D+00  0.139182D+01
      2   0.898169D+00  0.142833D+01  0.217030D+01 -0.276928D+00  0.111619D+01
      3   0.139196D+01 -0.372959D+00 -0.276928D+00 -0.140291D+00 -0.305461D+00
                86            87            88            89            90 
      1   0.111619D+01 -0.305461D+00 -0.798964D+00 -0.768053D+00 -0.130634D+00
      2   0.140155D+02 -0.882699D+00 -0.768053D+00 -0.387869D+01  0.218437D+01
      3  -0.882699D+00  0.930406D+00 -0.130634D+00  0.218437D+01 -0.364832D-01
                91            92            93            94            95 
      1  -0.126575D+01  0.754509D+00  0.144461D+01  0.189733D+00 -0.762511D+00
      2   0.754509D+00 -0.838724D+00 -0.126535D+01 -0.762511D+00  0.373364D+01
      3   0.144461D+01 -0.126535D+01 -0.188791D+01 -0.558438D+00  0.214482D+01
                96            97            98            99           100 
      1  -0.558438D+00  0.164520D+01 -0.156367D+01 -0.182307D+01  0.915719D+01
      2   0.214482D+01 -0.156367D+01  0.375866D+01  0.461641D+01 -0.130519D+00
      3   0.177082D+01 -0.182307D+01  0.461641D+01  0.842664D+01  0.218345D+01
               101           102           103           104           105 
      1  -0.130519D+00  0.218345D+01  0.314531D+01  0.613458D+00  0.689504D+00
      2   0.831312D+00  0.103493D+00  0.613458D+00  0.319787D+00  0.474513D+00
      3   0.103493D+00  0.159696D+01  0.689504D+00  0.474513D+00  0.474394D+00
               106           107           108           109           110 
      1   0.393942D+01 -0.200165D+00  0.226712D+01  0.245812D+01 -0.990203D+00
      2  -0.200165D+00  0.798734D+00 -0.218853D+00 -0.990203D+00  0.397296D+00
      3   0.226712D+01 -0.218853D+00  0.117253D+01 -0.169158D+01  0.100404D+01
               111           112           113           114           115 
      1  -0.169158D+01 -0.869613D+00  0.187175D+01  0.110299D+01 -0.380808D+01
      2   0.100404D+01  0.187175D+01 -0.337375D+01 -0.163661D+01  0.312390D+01
      3   0.176704D+01  0.110299D+01 -0.163661D+01 -0.166471D+01  0.377661D+01
               116           117           118           119           120 
      1   0.312390D+01  0.377661D+01 -0.333185D+00 -0.430318D+00  0.512512D+00
      2  -0.337530D+01 -0.381236D+01 -0.430318D+00 -0.203550D+01  0.445603D+00
      3  -0.381236D+01 -0.749150D+01  0.512512D+00  0.445603D+00 -0.105542D+00
               121           122           123           124           125 
      1  -0.203852D+01  0.211672D+01  0.315713D+00  0.958648D+00 -0.192316D+00
      2   0.211672D+01 -0.108332D+02  0.180939D+01 -0.192316D+00  0.328236D+01
      3   0.315713D+00  0.180939D+01 -0.142138D+01  0.775207D+00 -0.240714D+01
               126           127           128           129           130 
      1   0.775207D+00  0.353339D+00 -0.995991D+00 -0.593866D-01 -0.160598D+01
      2  -0.240714D+01 -0.995991D+00 -0.438445D+00  0.918446D-01  0.790706D+00
      3   0.575633D+00 -0.593866D-01  0.918446D-01 -0.218485D+00  0.420513D+00
               131           132           133           134           135 
      1   0.790706D+00  0.420513D+00  0.281219D-01  0.514033D+00  0.102872D+00
      2  -0.784765D+01 -0.341820D+01  0.514033D+00 -0.287171D+01 -0.222245D+01
      3  -0.341820D+01 -0.220110D+01  0.102872D+00 -0.222245D+01 -0.225830D+01
               136           137           138           139           140 
      1  -0.650167D+00 -0.240454D+01 -0.470817D+01 -0.331714D+01  0.974913D+00
      2  -0.240454D+01  0.547822D+00  0.171193D+00  0.974913D+00  0.676558D+01
      3  -0.470817D+01  0.171193D+00  0.137120D+01  0.313119D+00 -0.280729D+01
               141           142           143           144           145 
      1   0.313119D+00 -0.477526D+01  0.141704D+00  0.156837D+01  0.194237D+01
      2  -0.280729D+01  0.141704D+00 -0.147699D+01 -0.195949D+01 -0.296968D+01
      3  -0.200950D+01  0.156837D+01 -0.195949D+01  0.216916D+01 -0.412188D+01
               146           147           148           149           150 
      1  -0.296968D+01 -0.412188D+01 -0.474262D+01  0.175659D+01 -0.390131D+00
      2   0.119532D+00 -0.299572D+00  0.175659D+01  0.764227D+01 -0.985619D+00
      3  -0.299572D+00  0.136461D+01 -0.390131D+00 -0.985619D+00 -0.202568D+01
               151           152           153           154           155 
      1  -0.547466D+01 -0.252179D+00  0.226760D+01 -0.703074D+01  0.459542D+01
      2  -0.252179D+00 -0.138222D+01 -0.154931D+01  0.459542D+01 -0.426625D+01
      3   0.226760D+01 -0.154931D+01  0.469011D+01  0.778529D-01  0.285514D+00
               156           157           158           159           160 
      1   0.778529D-01  0.332744D+01 -0.359093D+01  0.415950D+00  0.317191D+00
      2   0.285514D+00 -0.359093D+01  0.435448D+01  0.616465D-01  0.305836D+00
      3  -0.661799D+00  0.415950D+00  0.616465D-01  0.368501D+00 -0.954817D+00
               161           162           163           164           165 
      1   0.305836D+00 -0.954817D+00 -0.412906D+01 -0.353283D+00 -0.339076D+01
      2   0.250258D+00  0.931627D+00 -0.353283D+00 -0.547829D+00 -0.175484D+00
      3   0.931627D+00 -0.219382D+00 -0.339076D+01 -0.175484D+00 -0.426848D+01
               166           167           168           169           170 
      1  -0.932862D+00 -0.656724D+00 -0.695986D+00 -0.272797D+01 -0.243401D+00
      2  -0.656724D+00 -0.439080D+00 -0.714829D+00 -0.243401D+00 -0.490251D+00
      3  -0.695986D+00 -0.714829D+00 -0.684252D+00 -0.350204D+01 -0.413095D-01
               171           172           173           174           175 
      1  -0.350204D+01  0.318555D+01  0.166820D+01 -0.281986D+01  0.120163D+01
      2  -0.413095D-01  0.166820D+01  0.194704D+01 -0.218844D+01  0.147708D+01
      3  -0.647371D+01 -0.281986D+01 -0.218844D+01  0.351779D+01 -0.167424D+01
               176           177           178           179           180 
      1   0.147708D+01 -0.167424D+01 -0.135492D+01 -0.942121D+00  0.156515D+01
      2   0.242974D+01 -0.204512D+01 -0.942121D+00 -0.110292D+01  0.180975D+01
      3  -0.204512D+01  0.263697D+01  0.156515D+01  0.180975D+01 -0.417929D+01
               181           182           183           184           185 
      1   0.463847D+01  0.103165D+01  0.151858D+01  0.158975D+01  0.595797D+00
      2   0.103165D+01  0.920964D+00 -0.248530D+00  0.595797D+00 -0.136724D+00
      3   0.151858D+01 -0.248530D+00  0.308866D+01 -0.136503D-01  0.594312D+00
               186           187           188           189           190 
      1  -0.136503D-01  0.180384D+01  0.955609D-01  0.162578D+01 -0.397602D+00
      2   0.594312D+00  0.955609D-01  0.606290D+00  0.546988D+00 -0.857643D+00
      3   0.131909D+01  0.162578D+01  0.546988D+00  0.222489D+01  0.948545D+00
               191           192           193           194           195 
      1  -0.857643D+00  0.948545D+00 -0.105677D+01 -0.112248D+01  0.437695D+00
      2  -0.426519D+00  0.158385D+00 -0.112248D+01 -0.852539D+01  0.345009D+01
      3   0.158385D+00 -0.499303D+00  0.437695D+00  0.345009D+01 -0.273242D+01
               196           197           198           199           200 
      1   0.382499D+00  0.751063D-01 -0.341649D+00 -0.479365D+01  0.843507D+00
      2   0.751063D-01  0.104881D+01 -0.122116D+01  0.843507D+00 -0.105727D+01
      3  -0.341649D+00 -0.122116D+01  0.102674D+01  0.380253D+01 -0.353026D+00
               201           202           203           204           205 
      1   0.380253D+01  0.197939D+01 -0.104942D+01 -0.131532D+01  0.247763D+01
      2  -0.353026D+00 -0.104942D+01  0.234913D+00  0.121992D+01 -0.450904D+00
      3  -0.414898D+01 -0.131532D+01  0.121992D+01  0.209163D+01 -0.275806D+01
               206           207           208           209           210 
      1  -0.450904D+00 -0.275806D+01 -0.116548D+01  0.485090D+00 -0.115386D+01
      2   0.738774D+00  0.695142D+00  0.485090D+00 -0.613839D-01 -0.518339D-02
      3   0.695142D+00  0.402261D+01 -0.115386D+01 -0.518339D-02 -0.152430D+01
               211           212           213           214           215 
      1   0.115359D+01 -0.320745D+00  0.165062D+00 -0.237170D+01 -0.482695D+00
      2  -0.320745D+00 -0.322153D+00 -0.766021D+00 -0.482695D+00 -0.108730D+01
      3   0.165062D+00 -0.766021D+00  0.799681D+00 -0.252177D+01  0.277747D+00
               216           217           218           219           220 
      1  -0.252177D+01 -0.884925D+01  0.651275D+00  0.226093D+01  0.369554D+01
      2   0.277747D+00  0.651275D+00 -0.970484D+00 -0.279869D+00 -0.138146D+01
      3  -0.682435D+01  0.226093D+01 -0.279869D+00 -0.147946D+01 -0.618934D+00
               221           222           223           224           225 
      1  -0.138146D+01 -0.618934D+00  0.480853D+01 -0.383253D-01 -0.214954D+01
      2   0.874742D-01  0.549802D+00 -0.383253D-01  0.886167D+00  0.400038D+00
      3   0.549802D+00  0.879118D+00 -0.214954D+01  0.400038D+00  0.136491D+01
               226           227           228           229           230 
      1  -0.943261D+00 -0.825664D+00  0.363180D+00 -0.234893D+01 -0.320083D+01
      2  -0.825664D+00 -0.258639D+00  0.546227D-01 -0.320083D+01 -0.962803D+01
      3   0.363180D+00  0.546227D-01 -0.440532D-01 -0.106585D+00  0.243143D+00
               231           232           233           234 
      1  -0.106585D+00  0.914373D+00  0.350586D+00 -0.647905D+00
      2   0.243143D+00  0.350586D+00  0.839167D+00 -0.939717D+00
      3  -0.972116D+00 -0.647905D+00 -0.939717D+00 -0.128873D+00
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1   0.144168D+01  0.123263D+01  0.114556D+00  0.271075D+01  0.994839D+01
      2   0.211687D+01 -0.189859D+01 -0.217836D+01  0.658149D+00  0.978871D+01
      3  -0.287280D+01 -0.502731D+01  0.167935D+01  0.175115D+01 -0.458266D+02
                 6             7             8             9            10 
      1  -0.129346D+01  0.136254D+01  0.522369D+01  0.352667D+00 -0.687561D+00
      2   0.117542D+02 -0.944971D+01  0.145269D+02  0.164123D+02 -0.838175D+00
      3  -0.131894D+02  0.161439D+01 -0.106925D+02 -0.144420D+02  0.393919D+01
                11            12            13            14            15 
      1  -0.746616D+01 -0.407556D+01 -0.371897D+01 -0.179387D+02  0.207615D+00
      2   0.270886D+01  0.243557D+01  0.201740D+00 -0.509166D+01 -0.187394D+01
      3  -0.547100D+01 -0.348779D+01  0.415002D+01  0.960592D+01  0.644981D+01
                16            17            18            19            20 
      1  -0.621991D+01  0.182945D+02  0.144509D+02 -0.153629D+01 -0.212594D+01
      2  -0.634249D+00 -0.250109D+01 -0.534897D+01 -0.163111D+01  0.599030D+01
      3  -0.143663D+01  0.107363D+02  0.114732D+02  0.107116D+02 -0.712743D+01
                21            22            23            24            25 
      1  -0.298529D+00 -0.209384D+01 -0.125856D+02 -0.307921D+01 -0.276760D+01
      2   0.150067D+01  0.441124D+01 -0.114176D+02 -0.130718D+02 -0.598438D+01
      3  -0.440306D+01  0.287361D+01  0.450712D+02  0.146264D+02 -0.315064D+01
                26            27            28            29            30 
      1   0.482313D+01  0.255937D+01 -0.125231D+01 -0.615308D+01 -0.507885D+01
      2  -0.112088D+02 -0.174396D+02 -0.542345D+01 -0.933319D+01 -0.626077D+01
      3   0.148500D+02  0.116235D+02  0.115138D+02 -0.179731D+01  0.105580D+02
                31            32            33            34            35 
      1  -0.315895D+01 -0.688942D+01  0.252290D+01 -0.116311D+02  0.151500D+02
      2  -0.898729D+01 -0.246966D+01  0.419772D+01 -0.174446D+02  0.146392D+02
      3   0.153012D+02 -0.319724D+02  0.551006D+01  0.108696D+02  0.105195D+02
                36            37            38            39            40 
      1   0.101590D+02 -0.105656D+01  0.523481D+00  0.559036D+01 -0.476045D+01
      2   0.151569D+02  0.979307D+01  0.310913D+01  0.320814D+01 -0.352312D+01
      3  -0.442360D+01 -0.152018D+02 -0.805450D+01 -0.117462D+01  0.809860D+01
                41            42            43            44            45 
      1   0.130565D+01 -0.118546D+02  0.848061D+01 -0.518325D-01  0.542844D+01
      2   0.245365D+01 -0.550467D+01 -0.102822D+02 -0.443530D+01  0.490603D+01
      3   0.278196D+01  0.331802D+01  0.566752D+01 -0.234193D+00 -0.676407D+01
                46            47            48            49            50 
      1   0.478500D+01 -0.520878D+00 -0.241139D+01 -0.906285D+00 -0.165003D+01
      2  -0.147183D+02 -0.309266D+01  0.664263D+01  0.107464D+01 -0.172116D+01
      3   0.135228D+02 -0.568294D+01 -0.191271D+01 -0.324176D+01 -0.173506D+02
                51            52            53            54            55 
      1  -0.159486D+01 -0.286887D+01  0.748246D+01 -0.315480D+01  0.307272D+01
      2  -0.717952D+00  0.273694D+00 -0.381308D+01  0.739588D+01  0.291151D+01
      3   0.234440D+01 -0.840068D+01  0.277495D+01  0.553232D+01 -0.456140D+01
                56            57            58            59            60 
      1   0.255573D+01  0.675840D+01  0.312900D+01  0.435631D+01 -0.686533D+01
      2   0.177705D+01  0.433699D+01  0.174633D+01  0.296997D+01 -0.410875D+01
      3  -0.558637D+01 -0.376906D+01  0.389597D+01  0.130579D+02 -0.582322D+01
                61            62            63            64            65 
      1   0.467181D+01  0.293343D+00 -0.964413D+01 -0.289131D+01  0.298745D+01
      2  -0.213668D+01 -0.238476D+01 -0.521755D+01 -0.589025D+00 -0.432208D+01
      3  -0.550054D+01 -0.727349D+01 -0.143086D+01  0.266377D+01 -0.417765D+01
                66            67            68            69            70 
      1  -0.132942D+02  0.641881D+01 -0.205060D+01  0.813641D+01 -0.110975D+02
      2   0.107624D+02 -0.546166D+00 -0.465477D+01  0.151986D+02  0.333340D+01
      3   0.710516D+01 -0.223491D+01 -0.212993D+01 -0.151829D+01  0.520380D+01
                71            72            73            74            75 
      1   0.833513D+01  0.231129D+01 -0.222032D+01  0.301679D+00 -0.291867D+01
      2   0.946146D+01  0.484015D+01 -0.452464D+00  0.123091D+01  0.567224D+01
      3   0.315579D+00  0.112071D+01  0.553121D+01 -0.192932D+01  0.153059D+01
                76            77            78            79            80 
      1  -0.432635D+00 -0.637399D+00 -0.116474D+01 -0.174992D+01  0.265036D+01
      2  -0.117291D+00  0.299551D+01  0.286307D+01  0.475623D+00 -0.150823D+01
      3   0.132232D+01 -0.233348D+01 -0.159113D+01  0.148551D+01 -0.421167D+01
                81            82            83            84            85 
      1  -0.119372D+01  0.170510D+01  0.274980D+01 -0.384482D-03  0.412465D+00
      2   0.110920D+01 -0.802847D+00 -0.264619D+00  0.154280D+01 -0.130548D+01
      3   0.144621D+01  0.217319D+01  0.131476D+01 -0.701124D+00  0.728248D+01
                86            87            88            89            90 
      1   0.136413D+02 -0.617701D+01  0.678059D+00 -0.794008D+01  0.247865D+01
      2   0.175279D+01  0.682509D+00 -0.557388D+00  0.724289D+00  0.334760D+00
      3  -0.572886D+01 -0.458703D+00 -0.280251D+01 -0.335173D+00 -0.195705D+01
                91            92            93            94            95 
      1  -0.316423D+01  0.194421D+01  0.431255D+01  0.353236D+00 -0.485867D+00
      2   0.229521D+01 -0.128635D+01 -0.987338D+00 -0.825662D+00  0.246091D+01
      3  -0.466355D+01  0.612442D+00  0.427741D+01  0.235125D+01 -0.436877D+01
                96            97            98            99           100 
      1  -0.288217D+01  0.349427D+01 -0.479783D+01 -0.178626D+02  0.399110D+01
      2   0.769951D+00 -0.557818D+01  0.281696D+01  0.430231D+01  0.791571D+01
      3  -0.288371D+01  0.817332D+01 -0.690994D+01 -0.769360D+01 -0.132243D+02
               101           102           103           104           105 
      1   0.894908D+00  0.263355D+01  0.887703D+00  0.119105D+01 -0.110440D+00
      2   0.258216D+00  0.802405D+01  0.205798D+01  0.145930D+01  0.216546D+01
      3  -0.539670D+01 -0.403589D+01 -0.372820D+01 -0.275929D+01 -0.241813D+01
               106           107           108           109           110 
      1   0.290342D+01  0.681002D+00  0.136272D+01 -0.266084D+01  0.179297D+01
      2   0.534388D+01 -0.264758D-01  0.470697D+01 -0.340394D+01  0.263804D+01
      3  -0.543218D+01 -0.357986D+01 -0.223695D+01 -0.715503D+00 -0.193820D+01
               111           112           113           114           115 
      1   0.350788D+01  0.191448D+01 -0.997591D+00 -0.362199D+01  0.676967D+01
      2   0.554681D+01  0.282665D+01 -0.424342D+01 -0.490789D+01  0.720980D+01
      3  -0.130610D+01 -0.274154D+01  0.786169D+01  0.307947D+01 -0.224481D+01
               116           117           118           119           120 
      1  -0.485013D+01 -0.131369D+02  0.461337D+00  0.224784D+01 -0.444913D+00
      2  -0.968667D+01 -0.215394D+02  0.145221D+01  0.225589D+01  0.431825D+00
      3   0.570885D+01  0.550706D+01  0.223343D+01  0.605012D+01 -0.254699D+01
               121           122           123           124           125 
      1  -0.894928D+00  0.668426D+01 -0.557189D+01  0.164301D+01 -0.489239D+01
      2   0.126982D+01  0.510936D+01 -0.428794D+01  0.733937D+00 -0.599314D+01
      3  -0.605618D+00  0.305897D+02 -0.626733D+01 -0.197287D+01 -0.106364D+02
               126           127           128           129           130 
      1   0.193933D+01  0.129931D+01 -0.274662D+00 -0.202490D+00 -0.546447D+00
      2   0.204923D+01  0.973030D+00 -0.907637D+00  0.109833D+01 -0.295002D+01
      3   0.583714D+01 -0.606346D+00 -0.411847D+00 -0.295700D+00  0.594111D+01
               131           132           133           134           135 
      1   0.581567D+01 -0.248777D+01 -0.240108D+00  0.333215D+01 -0.899296D+00
      2   0.883593D+00  0.219219D+00 -0.236438D+01  0.615737D-01 -0.608615D+00
      3   0.312262D+00 -0.116903D+00  0.899410D+00  0.463033D+00  0.138316D+00
               136           137           138           139           140 
      1  -0.121230D+02  0.477643D+00  0.233356D+01  0.320598D+01  0.138470D+02
      2   0.121288D+02  0.520139D+01  0.117059D+02  0.668936D+01  0.163833D+01
      3  -0.355918D+01  0.486795D+00  0.526097D+01  0.667972D+01  0.953116D+01
               141           142           143           144           145 
      1  -0.129786D+02  0.100716D+01 -0.423040D+01 -0.303584D+01 -0.327370D+01
      2   0.154134D+01  0.704756D+01  0.350029D+01 -0.485858D+01  0.134277D+02
      3  -0.455196D+01  0.436868D+01 -0.261871D+01 -0.398963D+01 -0.147529D+02
               146           147           148           149           150 
      1   0.801856D-01  0.274004D+01 -0.803712D+00 -0.377420D+01 -0.388914D+01
      2  -0.932391D+00 -0.573858D+01 -0.295242D+01  0.275284D+01  0.565766D+01
      3   0.334596D+01  0.409970D+01  0.139924D+02  0.235683D+02 -0.232971D+01
               151           152           153           154           155 
      1   0.487692D+01  0.742851D+00  0.839033D+01 -0.131955D+01  0.671466D+00
      2  -0.158177D+02  0.377998D+01 -0.174687D+02 -0.129366D+01  0.859750D+00
      3   0.549736D+01 -0.305136D+01 -0.798878D+01 -0.744698D+01 -0.172524D+01
               156           157           158           159           160 
      1   0.285117D+01  0.436264D+00 -0.163423D+01 -0.326543D+01  0.138158D+01
      2   0.371039D+01  0.245200D+00 -0.108792D+01 -0.216259D+01 -0.353406D-01
      3   0.237031D+00  0.438011D+01  0.759738D+00  0.678855D+00  0.556489D+00
               161           162           163           164           165 
      1  -0.353973D+00  0.422866D+00  0.388632D+01  0.420764D+01  0.433121D+01
      2  -0.801181D+00  0.167358D+00 -0.110439D+02 -0.170755D+01 -0.389217D+01
      3   0.126306D+01 -0.327823D+00 -0.334964D+01 -0.303994D+01 -0.243880D+01
               166           167           168           169           170 
      1   0.198759D+01  0.193644D+01  0.307205D+00  0.370324D+01  0.337962D+01
      2  -0.273712D+01 -0.102856D+01 -0.175525D+01 -0.768899D+01 -0.135822D+01
      3   0.523448D+00 -0.979900D-01 -0.461259D+00 -0.148102D+01 -0.187761D+01
               171           172           173           174           175 
      1   0.385447D+01 -0.167061D+01 -0.461640D+01  0.520359D+00 -0.251345D+01
      2  -0.338716D+01  0.959913D+01  0.376372D+01 -0.431320D+01  0.435142D+01
      3  -0.163735D+01  0.460550D+01  0.484688D+00 -0.255164D+01  0.418622D+01
               176           177           178           179           180 
      1  -0.367179D+01 -0.181664D+00  0.105614D+01  0.281071D+01 -0.528832D+00
      2   0.369495D+01 -0.412906D+01 -0.537831D+01 -0.326455D+01  0.389182D+01
      3   0.865858D+00 -0.212134D+01 -0.261564D+01 -0.196374D+00  0.226263D+01
               181           182           183           184           185 
      1   0.645585D+01  0.405263D+01  0.112048D+01  0.328449D+01  0.146462D+01
      2  -0.189577D+02 -0.456301D+01 -0.331097D+01 -0.603841D+01 -0.239541D+01
      3  -0.272120D+01 -0.162186D+01 -0.114838D+01  0.976904D+00 -0.341810D+00
               186           187           188           189           190 
      1   0.998796D+00  0.229193D+01  0.279463D+01  0.241410D+01 -0.392453D+00
      2  -0.475999D+00 -0.730415D+01 -0.104330D+01 -0.474780D+01 -0.814022D+00
      3   0.123906D+00 -0.713393D+00 -0.792916D+00 -0.653348D+00 -0.787049D+00
               191           192           193           194           195 
      1  -0.782327D+00 -0.607945D+00 -0.186134D+01 -0.163672D+02  0.101059D+01
      2   0.111191D+01 -0.343920D+00  0.288124D+01 -0.236431D+01  0.295024D+01
      3  -0.634876D+00 -0.561557D+00  0.303265D+01 -0.102913D+02  0.415914D+01
               196           197           198           199           200 
      1  -0.272775D-01  0.316420D+01 -0.157220D+01  0.579427D+01 -0.463540D+01
      2  -0.158524D+01  0.727302D+00 -0.585527D+00  0.604121D+01 -0.185427D+01
      3  -0.539511D+00  0.124640D+01 -0.108520D+01  0.462730D+01 -0.436560D+01
               201           202           203           204           205 
      1  -0.446811D+01 -0.307909D+01  0.241492D+01  0.323593D+01 -0.362534D+01
      2   0.281668D+00 -0.303404D+01 -0.416952D-01 -0.127067D+01 -0.496638D+01
      3  -0.385707D+01 -0.166322D+01  0.189093D+01  0.260533D+01 -0.260051D+01
               206           207           208           209           210 
      1   0.386359D+01  0.509552D+01 -0.191084D+01  0.171452D+00 -0.133432D+01
      2   0.167197D+00 -0.115542D+00  0.266859D+01  0.811109D+00  0.431040D+01
      3   0.231707D+01  0.343053D+01  0.233912D+01 -0.117140D+01  0.107076D+01
               211           212           213           214           215 
      1  -0.803620D-01 -0.903854D+00  0.107857D+01 -0.161432D+01  0.421751D+01
      2   0.148060D+01  0.234946D+01 -0.347036D+01  0.197978D+01 -0.262934D+01
      3  -0.715222D+00 -0.766737D-01 -0.222941D+01  0.800302D+00 -0.393751D+01
               216           217           218           219           220 
      1  -0.881708D+01  0.250790D+01 -0.677378D+00 -0.150852D+01 -0.587289D+00
      2   0.211125D+02 -0.988224D+01  0.128756D+01  0.900372D+01  0.320462D+01
      3   0.416769D+01  0.126197D+02 -0.658242D+01 -0.360338D+01 -0.616079D+01
               221           222           223           224           225 
      1   0.846826D+00 -0.272191D+00 -0.228726D+01  0.112291D+01  0.740552D+00
      2  -0.216401D+01 -0.391832D+01  0.682887D+01 -0.124765D+01 -0.559895D+01
      3   0.256853D+01  0.232340D+01 -0.536976D+01  0.425106D+01  0.383421D+01
               226           227           228           229           230 
      1   0.758959D+00  0.360508D+00 -0.170204D+00  0.465311D+00  0.371832D+01
      2  -0.124056D+01 -0.425766D+00  0.138670D+01 -0.819710D-01 -0.162925D+01
      3  -0.170839D+01 -0.158825D+01 -0.441833D+00 -0.278043D+01 -0.254987D+02
               231           232           233           234 
      1  -0.478348D+01 -0.500643D+00 -0.209734D+00  0.301859D+00
      2   0.365519D+01  0.111384D+01  0.180783D+01  0.301040D+00
      3   0.971686D+00 -0.875650D+00  0.190198D+01 -0.174319D+01
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.093368:
                 1             2             3             4             5 
      1  -0.160392D+02  0.391495D+01 -0.295632D+01  0.704499D+01 -0.290235D+02
      2   0.114022D+02 -0.147819D+01  0.264852D+01  0.121001D+01  0.343888D+02
      3   0.463704D+01 -0.243676D+01  0.307798D+00 -0.825500D+01 -0.536529D+01
      4  -0.779818D+01  0.223851D+01 -0.122188D+02 -0.432517D+01  0.529949D+02
      5  -0.183897D+02 -0.794683D+01 -0.515920D+01 -0.129707D+02  0.448045D+01
      6  -0.563340D+01 -0.870033D+01 -0.601670D+01 -0.540823D+01  0.683126D+01
                 6             7             8             9            10 
      1  -0.139123D+02 -0.454450D+01 -0.153411D+02 -0.192882D+02  0.275244D+01
      2   0.103351D+02  0.287242D+01  0.240331D+01  0.282667D+01  0.149339D+01
      3   0.357724D+01  0.167208D+01  0.129378D+02  0.164616D+02 -0.424584D+01
      4   0.427728D+01 -0.212246D+02  0.309342D+01  0.112240D+02 -0.216108D+01
      5   0.575691D+01 -0.530804D+01  0.701534D+01  0.976267D+01  0.260152D+01
      6   0.764753D+01 -0.381875D+01  0.118483D+02  0.587140D+01  0.988301D+00
                11            12            13            14            15 
      1  -0.523686D+01 -0.107151D+02  0.186399D+01  0.440436D+02  0.347196D+01
      2  -0.403111D+01  0.107345D+02 -0.643518D+01 -0.649484D+02  0.665113D+01
      3   0.926797D+01 -0.193765D-01  0.457119D+01  0.209048D+02 -0.101231D+02
      4   0.228588D+01  0.380655D+01  0.963741D+01 -0.196454D+02  0.454248D+01
      5   0.921327D+00 -0.259683D+01  0.367996D+01  0.400594D-01  0.277311D+01
      6   0.166224D+02  0.137170D+02  0.711528D+01  0.525444D+01 -0.624753D+01
                16            17            18            19            20 
      1  -0.111661D+02 -0.115127D+01  0.219225D+02  0.173424D+02 -0.685202D-01
      2   0.588489D+01  0.243758D+02 -0.813283D+01 -0.144713D+02 -0.255380D+01
      3   0.528119D+01 -0.232246D+02 -0.137897D+02 -0.287105D+01  0.262232D+01
      4   0.399557D+01  0.777955D+01  0.458989D+01 -0.377586D+01  0.589988D+01
      5  -0.338691D-02  0.629558D+01  0.709424D+01  0.258020D+01  0.842496D+01
      6   0.136196D+02 -0.219873D+02 -0.282273D+02 -0.260306D+01 -0.582954D+01
                21            22            23            24            25 
      1   0.506776D+01  0.237852D+01  0.114774D+02  0.124136D+02 -0.247326D+01
      2  -0.394121D+01 -0.288829D+01 -0.741360D+01 -0.284752D+01 -0.143385D+01
      3  -0.112655D+01  0.509770D+00 -0.406384D+01 -0.956604D+01  0.390711D+01
      4   0.595722D+01  0.125030D+01 -0.549161D+02 -0.158975D+02 -0.974798D+00
      5   0.599949D+01  0.627557D+01 -0.108262D+02 -0.116012D+02  0.149397D+02
      6  -0.998128D+00 -0.143103D+01 -0.766275D+01 -0.115215D+01 -0.107594D+01
                26            27            28            29            30 
      1   0.106160D+02  0.118727D+02 -0.362794D+02 -0.158572D+01 -0.159847D+02
      2  -0.103200D+02 -0.131182D+02  0.278481D+02 -0.679468D+01  0.998504D+01
      3  -0.295976D+00  0.124549D+01  0.843123D+01  0.838040D+01  0.599969D+01
      4  -0.178428D+02 -0.132384D+02 -0.220002D+01  0.187565D+01 -0.110021D+02
      5  -0.104160D+02 -0.137702D+02 -0.114701D+02 -0.150676D+02 -0.175187D+02
      6   0.443910D+01 -0.526993D+01  0.155611D+01  0.867750D+01  0.773945D+01
                31            32            33            34            35 
      1  -0.161102D+02  0.127315D+02 -0.174461D+02 -0.186080D+02 -0.218441D+02
      2   0.721391D+01 -0.271177D+02  0.171263D+02  0.631082D+01  0.269149D+02
      3   0.889628D+01  0.143862D+02  0.319851D+00  0.122971D+02 -0.507084D+01
      4  -0.477352D+01  0.409678D+02  0.229466D+01 -0.135591D+02  0.118436D+01
      5  -0.146854D+02 -0.426437D+01  0.109313D+02 -0.293041D+02  0.266647D+02
      6   0.228390D+01  0.128243D+02 -0.891887D+01  0.142033D+02 -0.191714D+02
                36            37            38            39            40 
      1  -0.147460D+02 -0.146293D+02 -0.417624D+01  0.151848D+01 -0.141038D+02
      2   0.109114D+02  0.108274D+02  0.345894D+01 -0.272492D+01  0.770247D+00
      3   0.383461D+01  0.380191D+01  0.717298D+00  0.120644D+01  0.133336D+02
      4   0.234757D+02  0.551267D+01  0.132156D+01  0.453683D+01  0.231156D+01
      5   0.319782D+02  0.445698D+01 -0.472962D+00 -0.133952D+01 -0.107182D+01
      6  -0.181726D+02  0.711891D+01 -0.411033D+00  0.403823D+01  0.354713D-01
                41            42            43            44            45 
      1   0.218612D+02  0.343114D+01  0.110984D+02  0.121357D+02  0.670439D+00
      2  -0.126203D+02 -0.103833D+02 -0.329882D+01 -0.141520D+02  0.501591D+01
      3  -0.924087D+01  0.695212D+01 -0.779963D+01  0.201628D+01 -0.568635D+01
      4  -0.869691D+01 -0.135608D+01  0.961564D+01 -0.856239D-01  0.126842D+01
      5   0.134760D+01  0.555063D+01 -0.638619D+01  0.906512D+00 -0.116196D+01
      6  -0.135156D+02 -0.189104D+02 -0.677533D+00 -0.106561D+02  0.342577D+01
                46            47            48            49            50 
      1   0.603936D+00 -0.942329D+01 -0.151506D+02 -0.109715D+02 -0.548273D+01
      2  -0.788667D+01  0.245476D+01  0.118143D+02  0.910388D+01  0.482898D+01
      3   0.728273D+01  0.696854D+01  0.333637D+01  0.186762D+01  0.653749D+00
      4  -0.161384D+02  0.342098D+01 -0.969535D+01  0.522365D+01  0.194313D+02
      5  -0.188789D+02 -0.504582D+01  0.810347D+01  0.125891D+01 -0.645290D+01
      6  -0.105729D+02  0.163059D+00  0.134944D+01 -0.125830D+01 -0.442318D+01
                51            52            53            54            55 
      1  -0.587627D+01 -0.214282D+02 -0.858988D+01  0.109731D+02 -0.966437D+01
      2  -0.284630D+01  0.116807D+02  0.374198D+01 -0.514453D+01 -0.545563D+01
      3   0.872257D+01  0.974749D+01  0.484789D+01 -0.582857D+01  0.151200D+02
      4  -0.852378D+01 -0.855714D+01 -0.943885D+01  0.212157D+01  0.233800D+02
      5  -0.514234D+01  0.112205D+02 -0.100097D+01  0.470244D+01  0.377595D+00
      6   0.856899D+01  0.572944D+01 -0.851781D+00  0.342833D+01  0.204406D+01
                56            57            58            59            60 
      1   0.918111D+01  0.346904D+01  0.296831D+01 -0.130684D+02  0.289265D+01
      2   0.478355D+01 -0.109315D+02  0.456571D+01  0.897783D+01 -0.119838D+00
      3  -0.139647D+02  0.746243D+01 -0.753402D+01  0.409054D+01 -0.277281D+01
      4  -0.246594D+02  0.208053D+01 -0.231446D+02  0.635285D+01  0.331380D+01
      5   0.239992D+01  0.126239D+01 -0.229851D+01  0.249145D+01  0.368072D+00
      6  -0.101601D+02 -0.690515D+01 -0.620804D+01  0.361935D+01 -0.611304D+00
                61            62            63            64            65 
      1   0.813617D+00  0.614409D+01  0.155572D+01  0.795428D+01  0.829321D+01
      2  -0.528533D+01 -0.756876D+01  0.866319D+01  0.741641D+01  0.171354D+01
      3   0.447171D+01  0.142466D+01 -0.102189D+02 -0.153707D+02 -0.100067D+02
      4   0.519406D+01  0.563648D+01 -0.767021D+01 -0.455691D+01 -0.350219D+00
      5   0.307089D+01 -0.191997D+01 -0.155735D+01 -0.394476D+01  0.379789D+01
      6  -0.527785D+01  0.609851D+01  0.774991D+01  0.743725D+01  0.152141D+02
                66            67            68            69            70 
      1  -0.318189D+01  0.139960D+02 -0.263477D+01 -0.154914D+01  0.161342D+01
      2   0.156259D+02  0.416401D+01 -0.293372D+01 -0.211115D+01  0.114064D+02
      3  -0.124440D+02 -0.181601D+02  0.556849D+01  0.366028D+01 -0.130199D+02
      4   0.312534D+01  0.248059D+01 -0.261133D+01  0.906771D+01 -0.287122D+01
      5  -0.192862D+02  0.140369D+01  0.586891D+01 -0.144592D+02 -0.141315D+02
      6  -0.108475D+02  0.136159D+02 -0.550598D+01  0.561483D+01 -0.501742D+01
                71            72            73            74            75 
      1  -0.707340D+01 -0.443121D+01  0.357302D+02  0.100763D+02  0.111809D+02
      2   0.481127D+01 -0.114645D+01 -0.200315D+02 -0.470028D+01 -0.945378D+01
      3   0.226213D+01  0.557766D+01 -0.156987D+02 -0.537599D+01 -0.172707D+01
      4   0.568301D+01 -0.233914D+00  0.280764D+02  0.150082D+02  0.124196D+02
      5  -0.626889D+01 -0.547680D+01  0.246180D+02  0.968496D+01  0.171116D+02
      6  -0.613671D-01  0.145635D+01  0.844319D+01  0.524658D+01  0.590681D+01
                76            77            78            79            80 
      1   0.450069D+01  0.610958D+00 -0.427851D+00  0.122308D+02  0.360831D+01
      2  -0.616377D+00  0.250843D+01  0.427865D+00 -0.856491D+01  0.291105D+00
      3  -0.388431D+01 -0.311939D+01 -0.138538D-04 -0.366589D+01 -0.389941D+01
      4   0.137757D+02  0.125988D+02  0.920355D+01  0.144073D+02  0.130969D+02
      5   0.656249D+01  0.822357D+01  0.679826D+01  0.158375D+02  0.560957D+01
      6   0.537860D+01  0.674388D+01  0.578832D+01  0.624049D+01  0.521917D+01
                81            82            83            84            85 
      1   0.584753D+01 -0.150639D+01 -0.513887D+01  0.392940D+00 -0.227737D+01
      2  -0.567871D+01  0.726996D+01  0.129484D+02 -0.649225D+00  0.761771D+01
      3  -0.168824D+00 -0.576357D+01 -0.780951D+01  0.256285D+00 -0.534035D+01
      4   0.836041D+01  0.598872D+01  0.148531D+02 -0.141944D+01  0.773824D+01
      5   0.109680D+02 -0.336678D+00  0.558297D+00  0.232783D+01 -0.849004D-01
      6   0.530376D+01 -0.151859D+01 -0.130561D+01 -0.231719D+00 -0.455318D+00
                86            87            88            89            90 
      1  -0.485491D+02  0.233418D+01  0.158197D+01  0.127449D+02 -0.794923D+01
      2   0.869602D+02 -0.641806D+01 -0.217402D+01 -0.251766D+02  0.881745D+01
      3  -0.384111D+02  0.408389D+01  0.592046D+00  0.124317D+02 -0.868222D+00
      4   0.212475D+02 -0.211342D+01 -0.290454D+01 -0.619902D+01  0.220318D+01
      5   0.301847D+00  0.552806D+00  0.165027D+01  0.847763D+00 -0.162957D+01
      6  -0.571927D+01  0.805376D+01 -0.615307D+00  0.152194D+02 -0.200537D+01
                91            92            93            94            95 
      1  -0.239594D+01  0.368515D+01  0.556788D+01  0.182858D+01 -0.153312D+02
      2  -0.144925D+01 -0.185082D+01 -0.247613D+01 -0.174484D+01  0.163864D+02
      3   0.384519D+01 -0.183433D+01 -0.309175D+01 -0.837410D-01 -0.105519D+01
      4  -0.336107D+01  0.544365D+01  0.509777D+01  0.116338D+01  0.911204D+00
      5  -0.323176D+01  0.365763D+01  0.715033D+01  0.756889D+00 -0.980652D+00
      6   0.635008D+01 -0.718273D+01 -0.870905D+01 -0.363939D+01  0.119079D+02
                96            97            98            99           100 
      1  -0.889823D+01  0.774248D+01 -0.185983D+02 -0.284437D+02  0.709719D+02
      2   0.651226D+01 -0.152027D+01  0.712620D+01  0.216906D+01 -0.392474D+02
      3   0.238597D+01 -0.622221D+01  0.114721D+02  0.262746D+02 -0.317245D+02
      4  -0.135162D+01  0.350171D+01 -0.186351D+01 -0.223669D+01 -0.108128D+02
      5  -0.120999D+01  0.563428D+01 -0.331128D+01 -0.460018D+01  0.172388D+02
      6   0.137557D+02 -0.852914D+01  0.279372D+02  0.403464D+02 -0.548391D+01
               101           102           103           104           105 
      1   0.196897D+01  0.160907D+02  0.211892D+02  0.438423D+01  0.498453D+01
      2  -0.296666D+01 -0.977288D+01 -0.125236D+02 -0.148062D+01 -0.431584D+01
      3   0.997692D+00 -0.631784D+01 -0.866559D+01 -0.290361D+01 -0.668684D+00
      4   0.823456D+01 -0.222160D+01  0.542461D+01  0.306353D+01  0.277747D+01
      5   0.206635D+00  0.143790D+02  0.505485D+01  0.332936D+01  0.378243D+01
      6  -0.147844D+00 -0.481991D+01 -0.433009D+00 -0.982466D+00  0.853501D+00
               106           107           108           109           110 
      1   0.262333D+02  0.684135D+00  0.123843D+02  0.156564D+02 -0.575988D+01
      2  -0.164121D+02 -0.285195D+01 -0.101329D+02 -0.109101D+02  0.378024D+01
      3  -0.982119D+01  0.216782D+01 -0.225136D+01 -0.474626D+01  0.197964D+01
      4  -0.536533D+01  0.511020D+01 -0.301851D+01 -0.980236D+01  0.643461D+01
      5   0.186607D+02 -0.112611D+01  0.102581D+02 -0.130963D+02  0.817292D+01
      6  -0.446073D+01  0.239969D+01 -0.200522D+01  0.544442D+01 -0.374529D+01
               111           112           113           114           115 
      1  -0.837156D+01 -0.215978D+01 -0.300226D+00  0.160349D+01 -0.161201D+02
      2   0.588708D+01 -0.444710D+00  0.497542D+01  0.182487D+00  0.130298D+02
      3   0.248447D+01  0.260449D+01 -0.467520D+01 -0.178598D+01  0.309038D+01
      4   0.882384D+01  0.117800D+02 -0.179531D+02 -0.103523D+02  0.210575D+02
      5   0.158378D+02  0.688806D+01 -0.938070D+01 -0.102366D+02  0.283236D+02
      6  -0.582762D+01 -0.466646D+01  0.583508D+01  0.104948D+02 -0.129338D+02
               116           117           118           119           120 
      1   0.717081D+01  0.500940D+01 -0.588789D+00 -0.939497D+01  0.407000D+01
      2  -0.614005D+01 -0.144363D+02  0.129537D+01  0.114543D+02 -0.253657D+01
      3  -0.103076D+01  0.942687D+01 -0.706580D+00 -0.205933D+01 -0.153343D+01
      4  -0.205580D+02 -0.220118D+02 -0.544160D+00 -0.212104D+01  0.982807D-01
      5  -0.240385D+02 -0.467693D+02  0.198013D+01  0.171166D+01  0.158651D+01
      6   0.175398D+02  0.256423D+02 -0.166305D+01 -0.324648D+01  0.106283D+01
               121           122           123           124           125 
      1  -0.769937D+01 -0.214758D+02  0.752746D+01  0.496521D+01  0.102301D+02
      2  -0.856751D-01  0.459316D+02 -0.100556D+02 -0.595315D+00 -0.161147D+02
      3   0.778504D+01 -0.244558D+02  0.252811D+01 -0.436989D+01  0.588459D+01
      4   0.153158D+02 -0.465231D+02  0.751744D+01 -0.367598D+01  0.141052D+02
      5   0.996660D-01  0.108947D+02 -0.862560D+01  0.682524D+01 -0.132947D+02
      6   0.268338D+01 -0.167545D+02  0.983333D+01 -0.388473D+01  0.156316D+02
               126           127           128           129           130 
      1  -0.354158D+01  0.461762D+00 -0.112411D+01 -0.283861D+00  0.535771D+00
      2   0.428102D+01  0.201984D+01  0.728459D+00  0.523726D+00 -0.147741D+01
      3  -0.739443D+00 -0.248161D+01  0.395652D+00 -0.239865D+00  0.941642D+00
      4  -0.104309D+02 -0.672485D+00  0.822724D+01  0.223648D+01  0.681415D+01
      5   0.197992D+01 -0.979725D+00  0.351231D+01  0.385757D+01  0.327131D+01
      6  -0.543437D+01  0.381779D+01 -0.187614D-01  0.105247D+01 -0.319918D+01
               131           132           133           134           135 
      1  -0.226110D+02 -0.107479D+02  0.390636D+00 -0.917132D+01 -0.103202D+02
      2   0.269792D+02  0.853174D+01  0.551704D+00  0.637913D+01  0.195144D+01
      3  -0.436819D+01  0.221621D+01 -0.942340D+00  0.279219D+01  0.836874D+01
      4  -0.131971D+01 -0.130411D+01  0.181291D+01 -0.130426D+01  0.412993D+00
      5  -0.206289D+01 -0.105274D+01  0.298881D+01 -0.766322D+00 -0.222052D+01
      6   0.258262D+02  0.167370D+02 -0.991477D+00  0.155003D+02  0.116740D+02
               136           137           138           139           140 
      1   0.622503D+01  0.615110D+01  0.120951D+02  0.938405D+01  0.136226D+02
      2   0.156050D+02 -0.497087D+01 -0.113535D+02 -0.104797D+02 -0.185596D+02
      3  -0.218301D+02 -0.118023D+01 -0.741605D+00  0.109563D+01  0.493695D+01
      4   0.942539D+01  0.272421D+01  0.283923D+01  0.447416D+00 -0.156907D+02
      5   0.140571D+02 -0.732185D+01 -0.208128D+02 -0.112106D+02  0.641240D+01
      6  -0.487654D+01  0.241139D+01  0.407425D+01  0.540554D+01  0.276556D+02
               141           142           143           144           145 
      1  -0.172122D+01  0.952400D+01  0.182212D+01 -0.151328D+02 -0.177838D+02
      2   0.167454D+02 -0.884145D+01  0.972801D+01  0.170793D+01  0.144692D+02
      3  -0.150241D+02 -0.682547D+00 -0.115501D+02  0.134249D+02  0.331458D+01
      4   0.748426D+01  0.406823D+01  0.458669D+01  0.153122D+01  0.215679D+02
      5   0.924270D+01 -0.211514D+02  0.462146D+01  0.349780D+01  0.255468D+02
      6  -0.953962D+01  0.111951D+01 -0.339923D+01 -0.121824D+02  0.755324D+01
               146           147           148           149           150 
      1   0.179480D+02  0.242215D+02  0.291079D+02  0.116748D+02 -0.212792D+01
      2  -0.109304D+02 -0.108523D+02 -0.214166D+02 -0.272924D+02  0.347255D+01
      3  -0.701756D+01 -0.133692D+02 -0.769128D+01  0.156176D+02 -0.134463D+01
      4   0.191505D+01  0.447413D+01 -0.486917D+01 -0.341882D+02  0.665469D+01
      5   0.189794D+01 -0.963965D+01 -0.104611D+01  0.568655D+01  0.946100D+01
      6   0.888394D+00 -0.189560D+01  0.489192D+00 -0.103537D+01  0.250841D+01
               151           152           153           154           155 
      1   0.299625D+02 -0.127433D+01 -0.133357D+02  0.223891D+02 -0.919688D+01
      2  -0.126809D+02  0.262701D+01  0.142511D+02  0.276585D+00 -0.781032D+01
      3  -0.172816D+02 -0.135268D+01 -0.915395D+00 -0.226657D+02  0.170072D+02
      4   0.336436D+01  0.699171D+01  0.533738D+01 -0.347699D+02  0.296880D+02
      5  -0.148751D+02  0.725728D+01 -0.240684D+02  0.288366D+01 -0.271877D+01
      6  -0.392497D+01  0.364138D+01 -0.822567D+01 -0.351960D+01  0.361401D+01
               156           157           158           159           160 
      1  -0.598622D+00 -0.362752D+01 -0.306264D+00  0.986085D-01 -0.634090D+00
      2   0.106376D+01 -0.981843D+01  0.174005D+02  0.786295D+00  0.621252D+00
      3  -0.465141D+00  0.134459D+02 -0.170942D+02 -0.884904D+00  0.128379D-01
      4  -0.108775D+01  0.242361D+02 -0.261457D+02  0.261953D+00 -0.326764D+00
      5   0.553561D+01 -0.190474D+01  0.143633D+01 -0.198087D+01  0.614668D+01
      6  -0.295045D+01  0.275216D+01 -0.334456D+01  0.501736D+01 -0.407463D+01
               161           162           163           164           165 
      1   0.154546D+00  0.162849D+00  0.232612D+01  0.132062D+01 -0.485931D+01
      2   0.139885D+01  0.557034D+00 -0.138210D+02 -0.187456D+01 -0.152883D+02
      3  -0.155340D+01 -0.719884D+00  0.114949D+02  0.553944D+00  0.201476D+02
      4  -0.447326D+00 -0.507496D+01 -0.141318D+01  0.374317D+01 -0.247816D+01
      5  -0.421678D+01  0.351080D+00  0.191374D+02  0.513565D+00  0.203449D+02
      6   0.648203D+01 -0.251863D+01 -0.386604D+01  0.254864D+01 -0.461841D+01
               166           167           168           169           170 
      1  -0.158117D+01 -0.686909D+00 -0.176755D+01 -0.337273D+01  0.811058D+00
      2  -0.229735D+01 -0.241386D+01 -0.314143D+01 -0.125147D+02 -0.134730D+01
      3   0.387852D+01  0.310076D+01  0.490898D+01  0.158874D+02  0.536244D+00
      4   0.292666D+01  0.332958D+00  0.164399D+01 -0.154185D+01  0.186011D+01
      5   0.160351D+01  0.341170D+01  0.304200D+01  0.174425D+02  0.159492D+01
      6   0.227885D+01  0.111866D+01  0.544780D+01 -0.217496D+01  0.499812D+01
               171           172           173           174           175 
      1  -0.138611D+02 -0.301171D+01 -0.625532D+01  0.895917D+01 -0.491190D+01
      2  -0.214320D+02 -0.344961D+01  0.102533D+01  0.349799D+01  0.518345D+00
      3   0.352931D+02  0.646132D+01  0.522999D+01 -0.124572D+02  0.439355D+01
      4  -0.193259D+01  0.627765D+01  0.560388D+01 -0.598124D+01  0.485873D+01
      5   0.224220D+02 -0.134454D+02 -0.690172D+01  0.143975D+02 -0.620727D+01
      6  -0.639240D+01 -0.972577D+01 -0.118045D+02  0.133284D+02 -0.894131D+01
               176           177           178           179           180 
      1  -0.923960D+01  0.965518D+01  0.432036D+01  0.719092D+01 -0.126377D+02
      2   0.693769D+01 -0.225147D+00  0.193113D+01  0.392196D+00 -0.687889D+01
      3   0.230192D+01 -0.943004D+01 -0.625150D+01 -0.758311D+01  0.195165D+02
      4   0.419807D+01 -0.410524D+01 -0.246992D+01 -0.301610D+01  0.320509D+01
      5  -0.601056D+01  0.685187D+01  0.974143D+01  0.473412D+01 -0.906925D+01
      6  -0.131978D+02  0.140699D+02  0.680428D+01  0.101927D+02 -0.151960D+02
               181           182           183           184           185 
      1  -0.452809D+01 -0.161025D+00 -0.116714D+02 -0.227077D+01 -0.322090D+01
      2  -0.489782D+01 -0.697032D+00 -0.547975D+01  0.866180D+00  0.186399D+01
      3   0.942592D+01  0.858057D+00  0.171511D+02  0.140459D+01  0.135691D+01
      4  -0.789624D+01 -0.834006D+00 -0.278891D+01 -0.725683D+00  0.227494D+00
      5   0.119427D+02  0.233881D+01  0.633972D+01  0.407504D+01  0.796601D+00
      6   0.194544D+01  0.448762D+01 -0.314765D+01  0.238901D+01 -0.332303D+00
               186           187           188           189           190 
      1  -0.340330D+01 -0.670649D+01 -0.160996D+01 -0.771795D+01 -0.102662D+01
      2  -0.381398D+01 -0.370165D+01 -0.192474D+01 -0.685876D+01  0.851915D+00
      3   0.721727D+01  0.104081D+02  0.353470D+01  0.145767D+02  0.174700D+00
      4  -0.881321D+00 -0.276965D+01  0.174642D+00 -0.254462D+01  0.244036D+01
      5  -0.114347D+01  0.932536D+01  0.656013D+00  0.554925D+01 -0.324969D+01
      6   0.291422D+01 -0.342727D-01  0.341639D+01  0.107152D+01 -0.329392D+01
               191           192           193           194           195 
      1   0.150769D+01 -0.128170D+01  0.113945D+00 -0.218244D+02  0.120429D+02
      2  -0.113927D+00  0.171307D+01  0.214433D+01  0.306599D+02 -0.681732D+01
      3  -0.139376D+01 -0.431375D+00 -0.225827D+01 -0.883550D+01 -0.522561D+01
      4   0.695112D+01 -0.259264D+01  0.870744D+01  0.186264D+02 -0.704901D+01
      5  -0.333446D+01  0.541777D+01 -0.484822D+01 -0.655732D+01  0.556481D+01
      6  -0.200491D+01  0.774736D+00 -0.462950D+01 -0.363917D+02  0.201868D+02
               196           197           198           199           200 
      1  -0.428843D+00  0.516026D+01 -0.493213D+01  0.146097D+02 -0.293918D+01
      2   0.144370D+01 -0.828193D+00  0.101968D+01 -0.206939D+02  0.367001D+01
      3  -0.101486D+01 -0.433207D+01  0.391245D+01  0.608427D+01 -0.730829D+00
      4  -0.844513D+00 -0.215554D+01  0.271736D+01 -0.101020D+01  0.490142D+01
      5   0.387691D+01  0.214231D+01 -0.315251D+01 -0.293140D+02  0.464667D+01
      6   0.103076D+01  0.110930D+02 -0.725883D+01  0.328504D+01 -0.597079D+01
               201           202           203           204           205 
      1  -0.402680D+01 -0.471029D+01 -0.214709D+00 -0.593097D-01 -0.239604D+01
      2   0.175889D+02  0.709500D+01 -0.119567D+01 -0.853940D+01  0.125732D+02
      3  -0.135621D+02 -0.238471D+01  0.141038D+01  0.859871D+01 -0.101771D+02
      4   0.305013D-01  0.450817D+01 -0.239902D+01 -0.457577D+01 -0.697568D+00
      5   0.272396D+02  0.110626D+02 -0.683925D+01 -0.109809D+02  0.201008D+02
      6  -0.984184D+00 -0.558584D+01  0.200064D+01  0.685037D+01 -0.184122D+01
               206           207           208           209           210 
      1   0.909065D-01 -0.242857D+01  0.789616D+01 -0.241118D+01  0.518683D+01
      2  -0.408335D+01 -0.170491D+02 -0.754717D+01  0.154139D+01 -0.592785D+01
      3   0.399245D+01  0.194776D+02 -0.348993D+00  0.869795D+00  0.741019D+00
      4  -0.268584D+01 -0.115099D+01 -0.110610D+01  0.133126D+01  0.822676D+00
      5  -0.415508D+01 -0.227346D+02  0.752929D+01 -0.721612D+00  0.134672D+02
      6   0.553977D+01  0.213909D+01  0.859304D+00  0.287323D+00  0.208478D+01
               211           212           213           214           215 
      1  -0.679091D+01 -0.115021D+01 -0.101685D+01  0.111108D+02  0.783557D+00
      2   0.441587D+01  0.140537D+01  0.188186D+01 -0.946750D+01  0.173321D+01
      3   0.237504D+01 -0.255165D+00 -0.865005D+00 -0.164330D+01 -0.251676D+01
      4   0.240784D+01  0.137826D+01  0.400861D+01  0.432682D+01  0.672724D+01
      5  -0.195869D+01  0.348053D+01 -0.442506D+01  0.192704D+02 -0.878676D+00
      6   0.791303D+00  0.386511D-02  0.291137D+01  0.488353D+01  0.385648D+01
               216           217           218           219           220 
      1   0.388493D+01  0.648311D+02 -0.708213D+01 -0.159296D+02 -0.232005D+02
      2  -0.169283D+02 -0.350979D+02  0.512929D+01  0.888462D+01  0.133700D+02
      3   0.130433D+02 -0.297332D+02  0.195284D+01  0.704495D+01  0.983055D+01
      4   0.282781D+00 -0.403997D+00  0.856922D+01  0.553387D+00  0.103457D+02
      5   0.380108D+02 -0.161798D+02  0.164219D+01  0.131107D+02  0.504583D+01
      6   0.111867D+02 -0.355929D+01  0.352187D+00  0.306422D+01 -0.550863D-01
               221           222           223           224           225 
      1   0.592147D+01  0.422538D+01 -0.294730D+02  0.152050D+01  0.121153D+02
      2  -0.659641D+00 -0.297425D+01  0.166936D+02 -0.206218D+01 -0.977041D+01
      3  -0.526183D+01 -0.125113D+01  0.127794D+02  0.541677D+00 -0.234487D+01
      4  -0.243640D+01 -0.390247D+01 -0.102321D+01 -0.623301D+01 -0.159062D+01
      5  -0.368573D+01 -0.600411D+01  0.174052D+02 -0.233035D+01 -0.107713D+02
      6   0.440815D+00  0.583875D+00  0.264621D+01  0.677884D+00 -0.101554D+01
               226           227           228           229           230 
      1   0.534036D+01  0.507507D+01 -0.218853D+01  0.591913D+01 -0.125749D+02
      2   0.365291D+00 -0.149948D+01  0.111034D+01  0.634094D+01  0.391651D+02
      3  -0.570565D+01 -0.357560D+01  0.107819D+01 -0.122601D+02 -0.265901D+02
      4   0.512969D+01  0.934373D+01 -0.587187D+00  0.222125D+02  0.495706D+02
      5  -0.196833D+01  0.273106D+00  0.203117D+01  0.124851D+01 -0.114151D+01
      6  -0.527135D+00  0.147031D-01 -0.240461D+00  0.115732D+01  0.363281D+01
               231           232           233           234 
      1   0.105354D+01 -0.454636D+01  0.566238D+00 -0.397496D+00
      2  -0.160496D+01  0.118110D+01 -0.257258D+01  0.177046D+01
      3   0.551421D+00  0.336526D+01  0.200635D+01 -0.137296D+01
      4  -0.117015D+01 -0.253802D+01 -0.419959D+01  0.440425D+01
      5   0.618629D+01  0.442696D+01  0.475398D+01  0.872525D+00
      6   0.668925D+01  0.243162D+01  0.644673D+01 -0.562102D+00

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.684292D-01      0.173930D+00      0.580167D+00
   x         -0.401354D-01     -0.102014D+00     -0.340282D+00
   y         -0.467110D-01     -0.118727D+00     -0.396032D+00
   z         -0.298293D-01     -0.758186D-01     -0.252904D+00

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111426D+03      0.165117D+02      0.183717D+02
   aniso      0.156479D+02      0.231878D+01      0.257999D+01
   xx         0.117628D+03      0.174307D+02      0.193943D+02
   yx        -0.373203D+00     -0.553030D-01     -0.615329D-01
   yy         0.114130D+03      0.169123D+02      0.188175D+02
   zx         0.401355D+00      0.594747D-01      0.661746D-01
   zy         0.433345D+01      0.642151D+00      0.714489D+00
   zz         0.102521D+03      0.151920D+02      0.169034D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118975D+03      0.176303D+02      0.196164D+02
   aniso      0.172987D+02      0.256341D+01      0.285218D+01
   xx         0.125728D+03      0.186310D+02      0.207297D+02
   yx        -0.624060D+00     -0.924761D-01     -0.102894D+00
   yy         0.122050D+03      0.180860D+02      0.201234D+02
   zx         0.465163D+00      0.689300D-01      0.766950D-01
   zy         0.482918D+01      0.715610D+00      0.796224D+00
   zz         0.109147D+03      0.161740D+02      0.179960D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          1.11970439          0.28759085         -3.25621449
     6         -1.12813503         -1.45880060         -3.09170145
     6          2.31428899          0.99568301         -1.15442982
     6          4.50336006          2.77770400         -1.07728152
     6          1.35558775         -0.10966715          1.30605507
     6         -1.60594247          0.11872988          1.44856461
     6         -1.59661981         -2.24152505         -0.34074717
     6          0.96616146         -2.98731495          0.86507126
     1          1.70352601          0.97621843         -5.09635134
     1         -0.81818787         -3.14500436         -4.25338500
     1         -2.80794615         -0.53424368         -3.87599503
     1          5.03322410          3.41539256         -2.96384426
     1          6.15359602          1.88972941         -0.20101976
     1          4.05278469          4.44084405          0.06844186
     1          2.44518721          0.51387979          2.94091691
     6         -2.86955020          2.54029520          0.55253151
     6         -2.61744122         -0.51606640          4.07881181
     1         -3.17968603         -3.55414210         -0.17674992
     1          0.75278542         -4.05901271          2.60330337
     1          2.34304751         -3.91610837         -0.35094306
     1         -2.19085586          3.16268051         -1.28411378
     1         -2.52916758          4.06706835          1.90231013
     1         -4.91448477          2.27232330          0.42907070
     1         -1.81228831         -2.23749301          4.86695002
     1         -4.66795611         -0.75681813          4.01471388
     1         -2.21208090          1.02492136          5.39274449

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.684292D-01      0.173930D+00      0.580167D+00
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.684292D-01      0.173930D+00      0.580167D+00

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.111426D+03      0.165117D+02      0.183717D+02
   aniso      0.156479D+02      0.231878D+01      0.257999D+01
   xx         0.113377D+03      0.168007D+02      0.186933D+02
   yx         0.664516D+01      0.984712D+00      0.109564D+01
   yy         0.105289D+03      0.156023D+02      0.173599D+02
   zx        -0.212896D+01     -0.315480D+00     -0.351018D+00
   zy         0.185281D+01      0.274559D+00      0.305488D+00
   zz         0.115613D+03      0.171320D+02      0.190620D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  488.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.118975D+03      0.176303D+02      0.196164D+02
   aniso      0.172987D+02      0.256341D+01      0.285218D+01
   xx         0.121167D+03      0.179551D+02      0.199778D+02
   yx         0.747437D+01      0.110759D+01      0.123236D+01
   yy         0.112283D+03      0.166386D+02      0.185129D+02
   zx        -0.219108D+01     -0.324684D+00     -0.361260D+00
   zy         0.203857D+01      0.302085D+00      0.336114D+00
   zz         0.123476D+03      0.182972D+02      0.203584D+02

 ----------------------------------------------------------------------
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 WHEN ALL ELSE FAILS, LOOK AT THE SCHRODINGER EQUATION.
     -- RUSSELL T. PACK, APRIL 1978
 Job cpu time:       0 days 12 hours 16 minutes  3.1 seconds.
 Elapsed time:       0 days  1 hours 32 minutes 14.6 seconds.
 File lengths (MBytes):  RWF=    694 Int=      0 D2E=      0 Chk=     22 Scr=      2
 Normal termination of Gaussian 16 at Thu Jul 22 19:36:05 2021.
